N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide

C14H13ClN4OS — CID 947732

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=NCCN1
InChIInChI=1S/C14H13ClN4OS/c15-10-3-1-2-9(6-10)7-11-8-18-14(21-11)19-13(20)12-16-4-5-17-12/h1-3,6,8H,4-5,7H2,(H,16,17)(H,18,19,20)
InChIKeyFPNKJRLLMYGZHL-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.33
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 947732) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID947732
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=NCCN1
InChIInChI=1S/C14H13ClN4OS/c15-10-3-1-2-9(6-10)7-11-8-18-14(21-11)19-13(20)12-16-4-5-17-12/h1-3,6,8H,4-5,7H2,(H,16,17)(H,18,19,20)
InChIKeyFPNKJRLLMYGZHL-UHFFFAOYSA-N
XLogP2.33
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 947732) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=NCCN1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is FPNKJRLLMYGZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c15-10-3-1-2-9(6-10)7-11-8-18-14(21-11)19-13(20)12-16-4-5-17-12/h1-3,6,8H,4-5,7H2,(H,16,17)(H,18,19,20).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 320.81 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 947732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).