N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C15H14N4OS2 — CID 70716890

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cncn1C1CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H14N4OS2/c20-14(12-8-22-15(18-12)13-2-1-5-21-13)17-7-11-6-16-9-19(11)10-3-4-10/h1-2,5-6,8-10H,3-4,7H2,(H,17,20)
InChIKeyACLAKQOALPLFLI-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.33
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 70716890) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID70716890
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cncn1C1CC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H14N4OS2/c20-14(12-8-22-15(18-12)13-2-1-5-21-13)17-7-11-6-16-9-19(11)10-3-4-10/h1-2,5-6,8-10H,3-4,7H2,(H,17,20)
InChIKeyACLAKQOALPLFLI-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 78813569
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70753289
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
N-(3-amino-2-hydroxy-3-oxopropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 107260979
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-[(3-cyclopropylimidazol-4-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 91773775
4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
CID 66164704
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 70716890) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCc1cncn1C1CC1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ACLAKQOALPLFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c20-14(12-8-22-15(18-12)13-2-1-5-21-13)17-7-11-6-16-9-19(11)10-3-4-10/h1-2,5-6,8-10H,3-4,7H2,(H,17,20).
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70716890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).