4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C14H15N5OS — CID 107802449

IUPAC4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc3ncsc3c2)c1N
InChIInChI=1S/C14H15N5OS/c1-7(2)12-11(15)13(19-18-12)14(20)17-8-3-4-9-10(5-8)21-6-16-9/h3-7H,15H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJRCXMCAYTAFCGD-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.98
Rot. Bonds3

About 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 107802449) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID107802449
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc3ncsc3c2)c1N
InChIInChI=1S/C14H15N5OS/c1-7(2)12-11(15)13(19-18-12)14(20)17-8-3-4-9-10(5-8)21-6-16-9/h3-7H,15H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJRCXMCAYTAFCGD-UHFFFAOYSA-N
XLogP2.98
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-hydroxy-4-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 107699370
4-amino-N-(3-bromo-4-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 104775377
N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077234
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 107802449) is 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccc3ncsc3c2)c1N.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JRCXMCAYTAFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7(2)12-11(15)13(19-18-12)14(20)17-8-3-4-9-10(5-8)21-6-16-9/h3-7H,15H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzothiazol-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107802449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).