7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H14N6O2S — CID 166334732

IUPAC7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccnc2c(C(=O)NC(CO)Cc3cncs3)cnn12
InChIInChI=1S/C13H14N6O2S/c14-11-1-2-16-12-10(5-17-19(11)12)13(21)18-8(6-20)3-9-4-15-7-22-9/h1-2,4-5,7-8,20H,3,6,14H2,(H,18,21)
InChIKeyJAQNBVIZZVKCQQ-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.10
Rot. Bonds5

About 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166334732) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166334732
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccnc2c(C(=O)NC(CO)Cc3cncs3)cnn12
InChIInChI=1S/C13H14N6O2S/c14-11-1-2-16-12-10(5-17-19(11)12)13(21)18-8(6-20)3-9-4-15-7-22-9/h1-2,4-5,7-8,20H,3,6,14H2,(H,18,21)
InChIKeyJAQNBVIZZVKCQQ-UHFFFAOYSA-N
XLogP0.10
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 133063514
1-tert-butyl-3-[(2R)-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]-1-sulfanylurea
CID 87957120
N-methyl-7-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124987425
7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 19620207
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 72856587
2-[(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)amino]ethanol
CID 15553288
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416783
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 166237556
N,N-dimethyl-7-[(2R)-1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124939569

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166334732) is 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccnc2c(C(=O)NC(CO)Cc3cncs3)cnn12.
What is the InChIKey of 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JAQNBVIZZVKCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c14-11-1-2-16-12-10(5-17-19(11)12)13(21)18-8(6-20)3-9-4-15-7-22-9/h1-2,4-5,7-8,20H,3,6,14H2,(H,18,21).
What are the key properties of 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166334732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).