4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide

C16H15ClFN5OS — CID 71071124

IUPAC4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide
SMILESCc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1nc(N)cn1C
InChIInChI=1S/C16H15ClFN5OS/c1-8-16(22-15(24)14-21-12(19)7-23(14)2)25-13(20-8)5-9-3-10(17)6-11(18)4-9/h3-4,6-7H,5,19H2,1-2H3,(H,22,24)
InChIKeyPYKSNMGPBXVOSX-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.40
Rot. Bonds4

About 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide

4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide (PubChem CID 71071124) has the molecular formula C16H15ClFN5OS and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide
PubChem CID71071124
Molecular FormulaC16H15ClFN5OS
Molecular Weight379.85 g/mol
Exact Mass379.07
IUPAC Name4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide
SMILESCc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1nc(N)cn1C
InChIInChI=1S/C16H15ClFN5OS/c1-8-16(22-15(24)14-21-12(19)7-23(14)2)25-13(20-8)5-9-3-10(17)6-11(18)4-9/h3-4,6-7H,5,19H2,1-2H3,(H,22,24)
InChIKeyPYKSNMGPBXVOSX-UHFFFAOYSA-N
XLogP3.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide (CID 71071124) is 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide is Cc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1nc(N)cn1C.
What is the InChIKey of 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is PYKSNMGPBXVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5OS/c1-8-16(22-15(24)14-21-12(19)7-23(14)2)25-13(20-8)5-9-3-10(17)6-11(18)4-9/h3-4,6-7H,5,19H2,1-2H3,(H,22,24).
What are the key properties of 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide?
4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 71071124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).