N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide

C24H27N3O4S — CID 134226830

IUPACN-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(-c2cnc(Oc3cccc(OCC4CC4)c3)cc2C)s1
InChIInChI=1S/C24H27N3O4S/c1-15-9-22(31-20-6-4-5-19(10-20)29-14-18-7-8-18)25-11-21(15)24-26-12-23(32-24)30-13-16(2)27-17(3)28/h4-6,9-12,16,18H,7-8,13-14H2,1-3H3,(H,27,28)/t16-/m0/s1
InChIKeyNTPLLXQSNCBRDA-INIZCTEOSA-N
MW453.56 g/mol
LogP5.00
Rot. Bonds10

About N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide (PubChem CID 134226830) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide
PubChem CID134226830
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(-c2cnc(Oc3cccc(OCC4CC4)c3)cc2C)s1
InChIInChI=1S/C24H27N3O4S/c1-15-9-22(31-20-6-4-5-19(10-20)29-14-18-7-8-18)25-11-21(15)24-26-12-23(32-24)30-13-16(2)27-17(3)28/h4-6,9-12,16,18H,7-8,13-14H2,1-3H3,(H,27,28)/t16-/m0/s1
InChIKeyNTPLLXQSNCBRDA-INIZCTEOSA-N
XLogP5.00
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide (CID 134226830) is N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cnc(-c2cnc(Oc3cccc(OCC4CC4)c3)cc2C)s1.
What is the InChIKey of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide?
The InChIKey is NTPLLXQSNCBRDA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15-9-22(31-20-6-4-5-19(10-20)29-14-18-7-8-18)25-11-21(15)24-26-12-23(32-24)30-13-16(2)27-17(3)28/h4-6,9-12,16,18H,7-8,13-14H2,1-3H3,(H,27,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide has a molecular weight of 453.56 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 134226830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).