2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide

C16H18FN3O2S — CID 120635551

IUPAC2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1
InChIInChI=1S/C16H18FN3O2S/c17-11-3-4-12(14(7-11)22-8-10-1-2-10)20-16(21)13-9-23-15(19-13)5-6-18/h3-4,7,9-10H,1-2,5-6,8,18H2,(H,20,21)
InChIKeyLTSFQOWIORUOHU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.82
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120635551) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
PubChem CID120635551
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1
InChIInChI=1S/C16H18FN3O2S/c17-11-3-4-12(14(7-11)22-8-10-1-2-10)20-16(21)13-9-23-15(19-13)5-6-18/h3-4,7,9-10H,1-2,5-6,8,18H2,(H,20,21)
InChIKeyLTSFQOWIORUOHU-UHFFFAOYSA-N
XLogP2.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623754
2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120634539
2-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 119786465
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide (CID 120635551) is 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2ccc(F)cc2OCC2CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LTSFQOWIORUOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-11-3-4-12(14(7-11)22-8-10-1-2-10)20-16(21)13-9-23-15(19-13)5-6-18/h3-4,7,9-10H,1-2,5-6,8,18H2,(H,20,21).
What are the key properties of 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120635551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).