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

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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).