N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C12H14N4OS — CID 71705685

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCc1nccs1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H14N4OS/c17-12(14-5-4-10-13-6-7-18-10)11-8-2-1-3-9(8)15-16-11/h6-7H,1-5H2,(H,14,17)(H,15,16)
InChIKeyFGKBSBJXHPOQKD-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71705685) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71705685
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCc1nccs1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H14N4OS/c17-12(14-5-4-10-13-6-7-18-10)11-8-2-1-3-9(8)15-16-11/h6-7H,1-5H2,(H,14,17)(H,15,16)
InChIKeyFGKBSBJXHPOQKD-UHFFFAOYSA-N
XLogP1.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71705685) is N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCCc1nccs1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FGKBSBJXHPOQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(14-5-4-10-13-6-7-18-10)11-8-2-1-3-9(8)15-16-11/h6-7H,1-5H2,(H,14,17)(H,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71705685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).