[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine

C8H9ClN4S — CID 131025975

IUPAC[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1ncc(Cl)c1-c1ncc(CN)s1
InChIInChI=1S/C8H9ClN4S/c1-13-7(6(9)4-12-13)8-11-3-5(2-10)14-8/h3-4H,2,10H2,1H3
InChIKeyDZDBHMOLOOQBBT-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.66
Rot. Bonds2

About [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine

[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 131025975) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID131025975
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1ncc(Cl)c1-c1ncc(CN)s1
InChIInChI=1S/C8H9ClN4S/c1-13-7(6(9)4-12-13)8-11-3-5(2-10)14-8/h3-4H,2,10H2,1H3
InChIKeyDZDBHMOLOOQBBT-UHFFFAOYSA-N
XLogP1.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215
[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 130679685
5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663431
[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79779918
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 63082297
(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine
CID 61281141
[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 62347401
[2-(7-chloro-1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 61281947
N-[1-amino-3-(3-fluorophenyl)propan-2-yl]-2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazole-5-carboxamide
CID 75044673
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
3-(4-chloro-1-methylpyrazol-5-yl)-5-methylpyridin-2-amine
CID 114663348

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine (CID 131025975) is [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine is Cn1ncc(Cl)c1-c1ncc(CN)s1.
What is the InChIKey of [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DZDBHMOLOOQBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-13-7(6(9)4-12-13)8-11-3-5(2-10)14-8/h3-4H,2,10H2,1H3.
What are the key properties of [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine?
[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 228.71 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 131025975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).