N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide

C15H16ClN3OS2 — CID 119935123

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H16ClN3OS2/c16-12-4-2-1-3-11(12)13-9-22-15(18-13)19-14(20)7-10-8-21-6-5-17-10/h1-4,9-10,17H,5-8H2,(H,18,19,20)
InChIKeyJTTHKYWNKMCMCW-UHFFFAOYSA-N
MW353.90 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935123) has the molecular formula C15H16ClN3OS2 and a molecular weight of 353.90 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935123
Molecular FormulaC15H16ClN3OS2
Molecular Weight353.90 g/mol
Exact Mass353.04
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H16ClN3OS2/c16-12-4-2-1-3-11(12)13-9-22-15(18-13)19-14(20)7-10-8-21-6-5-17-10/h1-4,9-10,17H,5-8H2,(H,18,19,20)
InChIKeyJTTHKYWNKMCMCW-UHFFFAOYSA-N
XLogP3.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935122
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936390
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936305
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119941368
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119935123) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JTTHKYWNKMCMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS2/c16-12-4-2-1-3-11(12)13-9-22-15(18-13)19-14(20)7-10-8-21-6-5-17-10/h1-4,9-10,17H,5-8H2,(H,18,19,20).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 353.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).