(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

C27H34N6O5S — CID 135088124

IUPAC(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)Cc1csc(C)n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C27H34N6O5S/c1-17(2)25-27(36)29-8-10-32-9-7-28-26(32)19-5-6-21(37-4)22(13-19)38-12-11-33(15-23(34)31-25)24(35)14-20-16-39-18(3)30-20/h5-7,9,13,16-17,25H,8,10-12,14-15H2,1-4H3,(H,29,36)(H,31,34)/t25-/m1/s1
InChIKeyLSRVGLIJVVFSNG-RUZDIDTESA-N
MW554.67 g/mol
LogP2.04
Rot. Bonds4

About (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (PubChem CID 135088124) has the molecular formula C27H34N6O5S and a molecular weight of 554.67 g/mol. Its IUPAC name is (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.

Molecular Properties

Compound Name(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
PubChem CID135088124
Molecular FormulaC27H34N6O5S
Molecular Weight554.67 g/mol
Exact Mass554.23
IUPAC Name(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
SMILESCOc1ccc2cc1OCCN(C(=O)Cc1csc(C)n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2
InChIInChI=1S/C27H34N6O5S/c1-17(2)25-27(36)29-8-10-32-9-7-28-26(32)19-5-6-21(37-4)22(13-19)38-12-11-33(15-23(34)31-25)24(35)14-20-16-39-18(3)30-20/h5-7,9,13,16-17,25H,8,10-12,14-15H2,1-4H3,(H,29,36)(H,31,34)/t25-/m1/s1
InChIKeyLSRVGLIJVVFSNG-RUZDIDTESA-N
XLogP2.04
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione with MolForge

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Related Compounds

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N-[2-(3,4-Diethoxyphenyl)ethyl]-2-[2-(1,3-thiazol-5-YL)-1H-1,3-benzodiazol-1-YL]acetamide
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CID 27370367
2-(6-(4-ethoxyphenyl)imidazo[2,1-b]thiazol-3-yl)-N-(2-morpholinoethyl)acetamide
CID 30675300
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CID 40509202
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CID 42099413
N-(sec-butyl)-2-(6-(4-ethoxyphenyl)imidazo[2,1-b]thiazol-3-yl)acetamide
CID 43981543
2-(6-(4-ethoxyphenyl)imidazo[2,1-b]thiazol-3-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 43981545
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-2-[4-(4-phenyl-1,3-thiazol-2-YL)-1H-imidazol-1-YL]acetamide
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Frequently Asked Questions

What is the IUPAC name of (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The IUPAC name of (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione (CID 135088124) is (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione.
What is the SMILES notation for (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The canonical SMILES for (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is COc1ccc2cc1OCCN(C(=O)Cc1csc(C)n1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2.
What is the InChIKey of (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
The InChIKey is LSRVGLIJVVFSNG-RUZDIDTESA-N. The full InChI is InChI=1S/C27H34N6O5S/c1-17(2)25-27(36)29-8-10-32-9-7-28-26(32)19-5-6-21(37-4)22(13-19)38-12-11-33(15-23(34)31-25)24(35)14-20-16-39-18(3)30-20/h5-7,9,13,16-17,25H,8,10-12,14-15H2,1-4H3,(H,29,36)(H,31,34)/t25-/m1/s1.
What are the key properties of (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione?
(11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione has a molecular weight of 554.67 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-20-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione is sourced from PubChem (CID 135088124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).