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

C13H17N5OS — CID 77086153

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESNc1nc(CCCNC(=O)c2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C13H17N5OS/c14-13-16-8(7-20-13)3-2-6-15-12(19)11-9-4-1-5-10(9)17-18-11/h7H,1-6H2,(H2,14,16)(H,15,19)(H,17,18)
InChIKeySRXBLLOBCVPXTM-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.30
Rot. Bonds5

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

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 77086153) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID77086153
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESNc1nc(CCCNC(=O)c2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C13H17N5OS/c14-13-16-8(7-20-13)3-2-6-15-12(19)11-9-4-1-5-10(9)17-18-11/h7H,1-6H2,(H2,14,16)(H,15,19)(H,17,18)
InChIKeySRXBLLOBCVPXTM-UHFFFAOYSA-N
XLogP1.30
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 77086153) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Nc1nc(CCCNC(=O)c2n[nH]c3c2CCC3)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is SRXBLLOBCVPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c14-13-16-8(7-20-13)3-2-6-15-12(19)11-9-4-1-5-10(9)17-18-11/h7H,1-6H2,(H2,14,16)(H,15,19)(H,17,18).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 77086153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).