N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C15H17N5OS2 — CID 70748034

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)n[nH]2)s1
InChIInChI=1S/C15H17N5OS2/c1-9-4-5-13(23-9)11-7-12(20-19-11)14(21)17-6-2-3-10-8-22-15(16)18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)(H,17,21)(H,19,20)
InChIKeyPOEOQTUIHSMHNN-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.85
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70748034) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID70748034
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)n[nH]2)s1
InChIInChI=1S/C15H17N5OS2/c1-9-4-5-13(23-9)11-7-12(20-19-11)14(21)17-6-2-3-10-8-22-15(16)18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)(H,17,21)(H,19,20)
InChIKeyPOEOQTUIHSMHNN-UHFFFAOYSA-N
XLogP2.85
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 70748034) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)n[nH]2)s1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is POEOQTUIHSMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-9-4-5-13(23-9)11-7-12(20-19-11)14(21)17-6-2-3-10-8-22-15(16)18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)(H,17,21)(H,19,20).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70748034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).