1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

C8H9ClN4S — CID 130637258

IUPAC1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H9ClN4S/c1-10-3-7-5-14-8(12-7)13-4-6(9)2-11-13/h2,4-5,10H,3H2,1H3
InChIKeyQULSEHBLIJWHNI-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 130637258) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID130637258
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H9ClN4S/c1-10-3-7-5-14-8(12-7)13-4-6(9)2-11-13/h2,4-5,10H,3H2,1H3
InChIKeyQULSEHBLIJWHNI-UHFFFAOYSA-N
XLogP1.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289
1-[5-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854301
1-[3-(4-chloropyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074698
N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 130632485
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 107125243
N-[[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114854309
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295234
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281842
N-[[5-(4-chloropyrazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80624071

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 130637258) is 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is QULSEHBLIJWHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-10-3-7-5-14-8(12-7)13-4-6(9)2-11-13/h2,4-5,10H,3H2,1H3.
What are the key properties of 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 228.71 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 130637258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).