2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C15H15F2N3OS — CID 119715290

IUPAC2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cs1
InChIInChI=1S/C15H15F2N3OS/c16-10-2-1-9(12(17)5-10)7-20(11-3-4-11)15(21)13-8-22-14(6-18)19-13/h1-2,5,8,11H,3-4,6-7,18H2
InChIKeyMZHCWNSVLBEMBQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.68
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119715290) has the molecular formula C15H15F2N3OS and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID119715290
Molecular FormulaC15H15F2N3OS
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cs1
InChIInChI=1S/C15H15F2N3OS/c16-10-2-1-9(12(17)5-10)7-20(11-3-4-11)15(21)13-8-22-14(6-18)19-13/h1-2,5,8,11H,3-4,6-7,18H2
InChIKeyMZHCWNSVLBEMBQ-UHFFFAOYSA-N
XLogP2.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119691625
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
CID 100645896
2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
CID 55761445
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 112816240
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 119715290) is 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MZHCWNSVLBEMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS/c16-10-2-1-9(12(17)5-10)7-20(11-3-4-11)15(21)13-8-22-14(6-18)19-13/h1-2,5,8,11H,3-4,6-7,18H2.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119715290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).