N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide

C12H11F2N3OS — CID 19768642

IUPACN-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1ncsc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H11F2N3OS/c13-8-3-7(4-9(14)5-8)11-10(17-6-19-11)12(18)16-2-1-15/h3-6H,1-2,15H2,(H,16,18)
InChIKeySZBRNXXCQQOPGK-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.78
Rot. Bonds4

About N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide

N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 19768642) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID19768642
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC NameN-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1ncsc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H11F2N3OS/c13-8-3-7(4-9(14)5-8)11-10(17-6-19-11)12(18)16-2-1-15/h3-6H,1-2,15H2,(H,16,18)
InChIKeySZBRNXXCQQOPGK-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 19768706
2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768577
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 19768623
N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768541
N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768609
N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
CID 130719830
tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365247
tert-butyl N-[2-[[5-(3-iodophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54091391
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54010314
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 19768642) is N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide is NCCNC(=O)c1ncsc1-c1cc(F)cc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SZBRNXXCQQOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c13-8-3-7(4-9(14)5-8)11-10(17-6-19-11)12(18)16-2-1-15/h3-6H,1-2,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 19768642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).