3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide

C16H20N6OS — CID 56900272

IUPAC3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc2nc(C(C)C)cc(NCCC(=O)Nc3nccs3)n2n1
InChIInChI=1S/C16H20N6OS/c1-10(2)12-9-13(22-14(19-12)8-11(3)21-22)17-5-4-15(23)20-16-18-6-7-24-16/h6-10,17H,4-5H2,1-3H3,(H,18,20,23)
InChIKeyBNOUYBXOHZQFBK-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.06
Rot. Bonds6

About 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide

3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 56900272) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID56900272
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc2nc(C(C)C)cc(NCCC(=O)Nc3nccs3)n2n1
InChIInChI=1S/C16H20N6OS/c1-10(2)12-9-13(22-14(19-12)8-11(3)21-22)17-5-4-15(23)20-16-18-6-7-24-16/h6-10,17H,4-5H2,1-3H3,(H,18,20,23)
InChIKeyBNOUYBXOHZQFBK-UHFFFAOYSA-N
XLogP3.06
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
CID 56901779
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72934835
2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56886694
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
CID 56722075
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496
1-methyl-3-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrazole-5-carboxamide
CID 50955268
4-(7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraen-15-yl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 46960822
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7746408

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide (CID 56900272) is 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc2nc(C(C)C)cc(NCCC(=O)Nc3nccs3)n2n1.
What is the InChIKey of 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is BNOUYBXOHZQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10(2)12-9-13(22-14(19-12)8-11(3)21-22)17-5-4-15(23)20-16-18-6-7-24-16/h6-10,17H,4-5H2,1-3H3,(H,18,20,23).
What are the key properties of 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 344.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 56900272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).