5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine

C9H11ClN4S — CID 114663437

IUPAC5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCn1ncc(Cl)c1-c1cnc(N)s1
InChIInChI=1S/C9H11ClN4S/c1-2-3-14-8(6(10)4-13-14)7-5-12-9(11)15-7/h4-5H,2-3H2,1H3,(H2,11,12)
InChIKeyCIXHDHFYPIBNFY-UHFFFAOYSA-N
MW242.74 g/mol
LogP2.65
Rot. Bonds3

About 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine

5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 114663437) has the molecular formula C9H11ClN4S and a molecular weight of 242.74 g/mol. Its IUPAC name is 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine
PubChem CID114663437
Molecular FormulaC9H11ClN4S
Molecular Weight242.74 g/mol
Exact Mass242.04
IUPAC Name5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCn1ncc(Cl)c1-c1cnc(N)s1
InChIInChI=1S/C9H11ClN4S/c1-2-3-14-8(6(10)4-13-14)7-5-12-9(11)15-7/h4-5H,2-3H2,1H3,(H2,11,12)
InChIKeyCIXHDHFYPIBNFY-UHFFFAOYSA-N
XLogP2.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663431
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
4-chloro-1-propyl-5-(trifluoromethoxy)pyrazole
CID 141420742
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 79775318
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-propylpyrazole
CID 114665595
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656882
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine (CID 114663437) is 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine is CCCn1ncc(Cl)c1-c1cnc(N)s1.
What is the InChIKey of 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is CIXHDHFYPIBNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4S/c1-2-3-14-8(6(10)4-13-14)7-5-12-9(11)15-7/h4-5H,2-3H2,1H3,(H2,11,12).
What are the key properties of 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine?
5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 242.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-propylpyrazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114663437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).