4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C14H16N8OS2 — CID 71573129

IUPAC4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)n1
InChIInChI=1S/C14H16N8OS2/c1-8-6-24-13(17-8)20-14(23)22-4-2-21(3-5-22)10-9-11(25-7-16-9)19-12(15)18-10/h6-7H,2-5H2,1H3,(H2,15,18,19)(H,17,20,23)
InChIKeyQVTBUSPAVJZOSZ-UHFFFAOYSA-N
MW376.47 g/mol
LogP1.79
Rot. Bonds2

About 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 71573129) has the molecular formula C14H16N8OS2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID71573129
Molecular FormulaC14H16N8OS2
Molecular Weight376.47 g/mol
Exact Mass376.09
IUPAC Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)n1
InChIInChI=1S/C14H16N8OS2/c1-8-6-24-13(17-8)20-14(23)22-4-2-21(3-5-22)10-9-11(25-7-16-9)19-12(15)18-10/h6-7H,2-5H2,1H3,(H2,15,18,19)(H,17,20,23)
InChIKeyQVTBUSPAVJZOSZ-UHFFFAOYSA-N
XLogP1.79
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71572647
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122444097
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
CID 71572886
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71573359
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 71572316
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 122444077
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 122444042
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-chloro-4-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 122443936
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 122443883
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide
CID 122443897
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78116677

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 71573129) is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1csc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)n1.
What is the InChIKey of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is QVTBUSPAVJZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8OS2/c1-8-6-24-13(17-8)20-14(23)22-4-2-21(3-5-22)10-9-11(25-7-16-9)19-12(15)18-10/h6-7H,2-5H2,1H3,(H2,15,18,19)(H,17,20,23).
What are the key properties of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71573129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).