N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine

C16H18N4S — CID 103773135

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCc3ccn(C4CCCC4)n3)cc2s1
InChIInChI=1S/C16H18N4S/c1-2-4-14(3-1)20-8-7-13(19-20)10-17-12-5-6-15-16(9-12)21-11-18-15/h5-9,11,14,17H,1-4,10H2
InChIKeyUYVQDEYMPSYFKV-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.22
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 103773135) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
PubChem CID103773135
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NCc3ccn(C4CCCC4)n3)cc2s1
InChIInChI=1S/C16H18N4S/c1-2-4-14(3-1)20-8-7-13(19-20)10-17-12-5-6-15-16(9-12)21-11-18-15/h5-9,11,14,17H,1-4,10H2
InChIKeyUYVQDEYMPSYFKV-UHFFFAOYSA-N
XLogP4.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
4-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 65438089
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626027
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethoxyaniline
CID 19626044
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethoxyaniline
CID 64799720
N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-iodoaniline
CID 64800257
2,4,6-tribromo-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 64800838
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
1-(1,3-benzothiazol-6-yl)-3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]urea
CID 72855930
2,4-dibromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]aniline
CID 64801058
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
2-bromo-5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 81280452

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine (CID 103773135) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine is c1nc2ccc(NCc3ccn(C4CCCC4)n3)cc2s1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is UYVQDEYMPSYFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-4-14(3-1)20-8-7-13(19-20)10-17-12-5-6-15-16(9-12)21-11-18-15/h5-9,11,14,17H,1-4,10H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 298.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103773135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).