3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine

C21H21N5S — CID 67520794

IUPAC3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCCCC3)c2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C21H21N5S/c22-20-17(21-25-18-8-4-5-9-19(18)27-21)10-14(11-23-20)15-12-24-26(13-15)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,22,23)
InChIKeyMFUWZCLBLCQHAN-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.31
Rot. Bonds3

About 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine

3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine (PubChem CID 67520794) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine
PubChem CID67520794
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCCCC3)c2)cc1-c1nc2ccccc2s1
InChIInChI=1S/C21H21N5S/c22-20-17(21-25-18-8-4-5-9-19(18)27-21)10-14(11-23-20)15-12-24-26(13-15)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,22,23)
InChIKeyMFUWZCLBLCQHAN-UHFFFAOYSA-N
XLogP5.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 91885439
6-Phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothiazol-2-amine
CID 712700
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 5458748
2-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzo[d]thiazol-5-amine
CID 24815998
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
N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine
CID 68778984
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-1,3-benzothiazol-2-amine
CID 122461995
1-[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555013
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine (CID 67520794) is 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCCCC3)c2)cc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is MFUWZCLBLCQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S/c22-20-17(21-25-18-8-4-5-9-19(18)27-21)10-14(11-23-20)15-12-24-26(13-15)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,22,23).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine?
3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 375.50 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-5-(1-cyclohexylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67520794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).