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

C16H14ClFN4OS — CID 53341001

IUPACN-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1ccnn1C
InChIInChI=1S/C16H14ClFN4OS/c1-9-16(21-15(23)13-3-4-19-22(13)2)24-14(20-9)7-10-5-11(17)8-12(18)6-10/h3-6,8H,7H2,1-2H3,(H,21,23)
InChIKeyFORLGKIXPBPHRB-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.82
Rot. Bonds4

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

N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 53341001) has the molecular formula C16H14ClFN4OS and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
PubChem CID53341001
Molecular FormulaC16H14ClFN4OS
Molecular Weight364.83 g/mol
Exact Mass364.06
IUPAC NameN-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1ccnn1C
InChIInChI=1S/C16H14ClFN4OS/c1-9-16(21-15(23)13-3-4-19-22(13)2)24-14(20-9)7-10-5-11(17)8-12(18)6-10/h3-6,8H,7H2,1-2H3,(H,21,23)
InChIKeyFORLGKIXPBPHRB-UHFFFAOYSA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (CID 53341001) is N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is Cc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)c1ccnn1C.
What is the InChIKey of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is FORLGKIXPBPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4OS/c1-9-16(21-15(23)13-3-4-19-22(13)2)24-14(20-9)7-10-5-11(17)8-12(18)6-10/h3-6,8H,7H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 53341001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).