(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide

C19H23N7O2S — CID 122443909

IUPAC(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C[C@H](C)N(c3nc(N)nc4scnc34)C[C@H]2C)cc1
InChIInChI=1S/C19H23N7O2S/c1-11-9-26(19(27)22-13-4-6-14(28-3)7-5-13)12(2)8-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)(H2,20,23,24)/t11-,12+/m0/s1
InChIKeyIELPDCATGFILAL-NWDGAFQWSA-N
MW413.51 g/mol
LogP2.81
Rot. Bonds3

About (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide

(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide (PubChem CID 122443909) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide
PubChem CID122443909
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC Name(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C[C@H](C)N(c3nc(N)nc4scnc34)C[C@H]2C)cc1
InChIInChI=1S/C19H23N7O2S/c1-11-9-26(19(27)22-13-4-6-14(28-3)7-5-13)12(2)8-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)(H2,20,23,24)/t11-,12+/m0/s1
InChIKeyIELPDCATGFILAL-NWDGAFQWSA-N
XLogP2.81
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

JK184
CID 1069686
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CID 2808509
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 71525653
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CID 71572645
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CID 71572646
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
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CID 117653382
8-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 117653568
(3S,5R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 117653653

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide (CID 122443909) is (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2C[C@H](C)N(c3nc(N)nc4scnc34)C[C@H]2C)cc1.
What is the InChIKey of (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide?
The InChIKey is IELPDCATGFILAL-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-11-9-26(19(27)22-13-4-6-14(28-3)7-5-13)12(2)8-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,27)(H2,20,23,24)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide?
(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 122443909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).