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

C15H17Cl2N3OS2 — CID 119935122

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H16ClN3OS2.ClH/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);1H
InChIKeyGODVNVARFCCCSH-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.92
Rot. Bonds4

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935122) has the molecular formula C15H17Cl2N3OS2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935122
Molecular FormulaC15H17Cl2N3OS2
Molecular Weight390.36 g/mol
Exact Mass389.02
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C15H16ClN3OS2.ClH/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);1H
InChIKeyGODVNVARFCCCSH-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.92
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
CID 119935123
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-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935122) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is GODVNVARFCCCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS2.ClH/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);1H.
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 390.36 g/mol, XLogP of 3.92, 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;hydrochloride is sourced from PubChem (CID 119935122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).