1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C9H12N4S — CID 61034807

IUPAC1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1cc(CNCc2nccs2)cn1
InChIInChI=1S/C9H12N4S/c1-13-7-8(5-12-13)4-10-6-9-11-2-3-14-9/h2-3,5,7,10H,4,6H2,1H3
InChIKeyFBISSLSDYGFDRP-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.17
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 61034807) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID61034807
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1cc(CNCc2nccs2)cn1
InChIInChI=1S/C9H12N4S/c1-13-7-8(5-12-13)4-10-6-9-11-2-3-14-9/h2-3,5,7,10H,4,6H2,1H3
InChIKeyFBISSLSDYGFDRP-UHFFFAOYSA-N
XLogP1.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 104878846
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001488
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 61349454
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 61034807) is 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Cn1cc(CNCc2nccs2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is FBISSLSDYGFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13-7-8(5-12-13)4-10-6-9-11-2-3-14-9/h2-3,5,7,10H,4,6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 61034807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).