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

C12H12N4S — CID 103818834

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCn1ccc(CNc2ccc3ncsc3c2)n1
InChIInChI=1S/C12H12N4S/c1-16-5-4-10(15-16)7-13-9-2-3-11-12(6-9)17-8-14-11/h2-6,8,13H,7H2,1H3
InChIKeyFNUYPLHBKDUHLM-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds3

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

N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 103818834) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
PubChem CID103818834
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCn1ccc(CNc2ccc3ncsc3c2)n1
InChIInChI=1S/C12H12N4S/c1-16-5-4-10(15-16)7-13-9-2-3-11-12(6-9)17-8-14-11/h2-6,8,13H,7H2,1H3
InChIKeyFNUYPLHBKDUHLM-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine
CID 103894044
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 103579685
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 115748880
N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 115744020
3-N,3-N,4-trimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,3-diamine
CID 82865842
4-ethoxy-3-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115743252

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine (CID 103818834) is N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine is Cn1ccc(CNc2ccc3ncsc3c2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is FNUYPLHBKDUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-16-5-4-10(15-16)7-13-9-2-3-11-12(6-9)17-8-14-11/h2-6,8,13H,7H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine?
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 244.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103818834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).