N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide

C15H16BrClN2OS — CID 124735535

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(Cl)n1)[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H16BrClN2OS/c1-3-8-19(14(20)13-9-21-15(17)18-13)10(2)11-6-4-5-7-12(11)16/h4-7,9-10H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyNQXDDIIQWXWVHB-JTQLQIEISA-N
MW387.73 g/mol
LogP5.17
Rot. Bonds5

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 124735535) has the molecular formula C15H16BrClN2OS and a molecular weight of 387.73 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID124735535
Molecular FormulaC15H16BrClN2OS
Molecular Weight387.73 g/mol
Exact Mass385.99
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(Cl)n1)[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H16BrClN2OS/c1-3-8-19(14(20)13-9-21-15(17)18-13)10(2)11-6-4-5-7-12(11)16/h4-7,9-10H,3,8H2,1-2H3/t10-/m0/s1
InChIKeyNQXDDIIQWXWVHB-JTQLQIEISA-N
XLogP5.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide (CID 124735535) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide is CCCN(C(=O)c1csc(Cl)n1)[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is NQXDDIIQWXWVHB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16BrClN2OS/c1-3-8-19(14(20)13-9-21-15(17)18-13)10(2)11-6-4-5-7-12(11)16/h4-7,9-10H,3,8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 387.73 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124735535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).