4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine

C15H17N5S — CID 66768006

IUPAC4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCNCC2)c1-c1nc2ccccc2s1
InChIInChI=1S/C15H17N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-4,9,17H,5-8H2,(H3,16,19,20)
InChIKeyRMTNMWCRCXALGK-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.74
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine

4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine (PubChem CID 66768006) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine
PubChem CID66768006
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCNCC2)c1-c1nc2ccccc2s1
InChIInChI=1S/C15H17N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-4,9,17H,5-8H2,(H3,16,19,20)
InChIKeyRMTNMWCRCXALGK-UHFFFAOYSA-N
XLogP2.74
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzothiazol-2-YL-2H-pyrazol-3-ylamine
CID 16785010
CID 49830886
CID 49830886
6-(5-amino-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-(R)-sec-butylbenzo[d]thiazol-2-amine
CID 15987404
6-(5-amino-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448093
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013
4-Benzothiazol-2-YL-5-(3-methylamino-propyl)-2H-pyrazol-3-ylamine
CID 66768141
N-benzyl-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 89445242
6-[3-amino-5-(2-fluorophenyl)-1H-pyrazol-4-yl]-N-[(2S)-butan-2-yl]-1,3-benzothiazol-2-amine
CID 44448094
5-(2,4-dimethylthiazol-5-yl)-1H-indazol-3-amine
CID 44570389
N4-(4-(benzo[d]thiazol-2-yl)phenyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine
CID 44564747
4-(1,3-benzothiazol-2-yl)-N~5~-phenyl-1H-pyrazole-3,5-diamine
CID 86340067

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine (CID 66768006) is 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCNCC2)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine?
The InChIKey is RMTNMWCRCXALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c16-14-12(13(19-20-14)9-5-7-17-8-6-9)15-18-10-3-1-2-4-11(10)21-15/h1-4,9,17H,5-8H2,(H3,16,19,20).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine?
4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine has a molecular weight of 299.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-5-piperidin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 66768006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).