N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C20H20FN3OS — CID 68727708

IUPACN-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCN)Cc2ccccc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H20FN3OS/c1-14-23-18(19(26-14)16-7-9-17(21)10-8-16)20(25)24(12-11-22)13-15-5-3-2-4-6-15/h2-10H,11-13,22H2,1H3
InChIKeyBIBSISQKPYQJSA-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.86
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 68727708) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID68727708
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC NameN-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCN)Cc2ccccc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H20FN3OS/c1-14-23-18(19(26-14)16-7-9-17(21)10-8-16)20(25)24(12-11-22)13-15-5-3-2-4-6-15/h2-10H,11-13,22H2,1H3
InChIKeyBIBSISQKPYQJSA-UHFFFAOYSA-N
XLogP3.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(2,3-dihydro-1-benzofuran-7-carbonylamino)ethyl]-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 25188962
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-[2-[benzyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189440
N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77094415
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724081
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854873
N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 120648392
[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 68727708) is N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCN)Cc2ccccc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BIBSISQKPYQJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-23-18(19(26-14)16-7-9-17(21)10-8-16)20(25)24(12-11-22)13-15-5-3-2-4-6-15/h2-10H,11-13,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68727708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).