2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C19H17ClFN3OS — CID 16593862

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl
InChIInChI=1S/C19H17ClFN3OS/c1-12(15-4-2-3-5-16(15)20)22-10-18(25)24-19-23-17(11-26-19)13-6-8-14(21)9-7-13/h2-9,11-12,22H,10H2,1H3,(H,23,24,25)
InChIKeyTUKNTICRIPRCIU-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.89
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16593862) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16593862
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl
InChIInChI=1S/C19H17ClFN3OS/c1-12(15-4-2-3-5-16(15)20)22-10-18(25)24-19-23-17(11-26-19)13-6-8-14(21)9-7-13/h2-9,11-12,22H,10H2,1H3,(H,23,24,25)
InChIKeyTUKNTICRIPRCIU-UHFFFAOYSA-N
XLogP4.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17422913
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 40880412
(2S,3S)-2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100325
N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 78825100
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599003
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2114533
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8790721
2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17405097
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 16593862) is 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is CC(NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is TUKNTICRIPRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c1-12(15-4-2-3-5-16(15)20)22-10-18(25)24-19-23-17(11-26-19)13-6-8-14(21)9-7-13/h2-9,11-12,22H,10H2,1H3,(H,23,24,25).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 389.88 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16593862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).