2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide

C13H13FN4O2S — CID 66376283

IUPAC2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C13H13FN4O2S/c1-6-8(14)2-7(12(16)19)3-9(6)18-13(20)10-5-21-11(4-15)17-10/h2-3,5H,4,15H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLHHFNMLSJNJXNB-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.40
Rot. Bonds4

About 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66376283) has the molecular formula C13H13FN4O2S and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID66376283
Molecular FormulaC13H13FN4O2S
Molecular Weight308.34 g/mol
Exact Mass308.07
IUPAC Name2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C13H13FN4O2S/c1-6-8(14)2-7(12(16)19)3-9(6)18-13(20)10-5-21-11(4-15)17-10/h2-3,5H,4,15H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLHHFNMLSJNJXNB-UHFFFAOYSA-N
XLogP1.40
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66376335
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66381003
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
2-(aminomethyl)-N-(2-fluoro-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66377693
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-(2-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 66376858
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66378376

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 66376283) is 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LHHFNMLSJNJXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S/c1-6-8(14)2-7(12(16)19)3-9(6)18-13(20)10-5-21-11(4-15)17-10/h2-3,5H,4,15H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).