1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C13H18N4S — CID 65197342

IUPAC1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCc1nn(C)cc1-c1csc(C2(N)CCCC2)n1
InChIInChI=1S/C13H18N4S/c1-9-10(7-17(2)16-9)11-8-18-12(15-11)13(14)5-3-4-6-13/h7-8H,3-6,14H2,1-2H3
InChIKeyIYNSESVOYZUUFT-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.58
Rot. Bonds2

About 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 65197342) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID65197342
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCc1nn(C)cc1-c1csc(C2(N)CCCC2)n1
InChIInChI=1S/C13H18N4S/c1-9-10(7-17(2)16-9)11-8-18-12(15-11)13(14)5-3-4-6-13/h7-8H,3-6,14H2,1-2H3
InChIKeyIYNSESVOYZUUFT-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 65197342) is 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine is Cc1nn(C)cc1-c1csc(C2(N)CCCC2)n1.
What is the InChIKey of 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is IYNSESVOYZUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-10(7-17(2)16-9)11-8-18-12(15-11)13(14)5-3-4-6-13/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 65197342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).