N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine

C16H18N8OS — CID 158842023

IUPACN-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine
SMILESCC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1.Nc1ccn[nH]1
InChIInChI=1S/C13H13N5OS.C3H5N3/c1-6-11(12(14)18-17-6)13-16-9-4-3-8(15-7(2)19)5-10(9)20-13;4-3-1-2-5-6-3/h3-5H,1-2H3,(H,15,19)(H3,14,17,18);1-2H,(H3,4,5,6)
InChIKeyIYJASPNOGQDWTG-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.53
Rot. Bonds2

About N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine

N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine (PubChem CID 158842023) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine
PubChem CID158842023
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC NameN-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine
SMILESCC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1.Nc1ccn[nH]1
InChIInChI=1S/C13H13N5OS.C3H5N3/c1-6-11(12(14)18-17-6)13-16-9-4-3-8(15-7(2)19)5-10(9)20-13;4-3-1-2-5-6-3/h3-5H,1-2H3,(H,15,19)(H3,14,17,18);1-2H,(H3,4,5,6)
InChIKeyIYJASPNOGQDWTG-UHFFFAOYSA-N
XLogP2.53
TPSA151.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

carbamoyl 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-6-sulfonate
CID 91103831
[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-5-yl] ethyl carbonate
CID 66768513
carbamoyl 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-5-sulfonate
CID 91074111
2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazole-6-sulfonic acid;2,2,2-trifluoroethylazanide
CID 162101523
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
N-(2-cyano-1,3-benzothiazol-6-yl)acetamide
CID 45077726
5-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 66768027
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-amino-3-methylbutanamide;hydrochloride
CID 119277664
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107470253

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine?
The IUPAC name of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine (CID 158842023) is N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine.
What is the SMILES notation for N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine?
The canonical SMILES for N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine is CC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1.Nc1ccn[nH]1.
What is the InChIKey of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine?
The InChIKey is IYJASPNOGQDWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS.C3H5N3/c1-6-11(12(14)18-17-6)13-16-9-4-3-8(15-7(2)19)5-10(9)20-13;4-3-1-2-5-6-3/h3-5H,1-2H3,(H,15,19)(H3,14,17,18);1-2H,(H3,4,5,6).
What are the key properties of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine?
N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine has a molecular weight of 370.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide;1H-pyrazol-5-amine is sourced from PubChem (CID 158842023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).