2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide

C17H19ClN4O3S — CID 18567713

IUPAC2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCC1CCCO1
InChIInChI=1S/C17H19ClN4O3S/c18-11-3-1-4-12(7-11)20-16(24)22-17-21-13(10-26-17)8-15(23)19-9-14-5-2-6-25-14/h1,3-4,7,10,14H,2,5-6,8-9H2,(H,19,23)(H2,20,21,22,24)
InChIKeyRJJNOZRXVDIOAZ-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.28
Rot. Bonds6

About 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 18567713) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID18567713
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCC1CCCO1
InChIInChI=1S/C17H19ClN4O3S/c18-11-3-1-4-12(7-11)20-16(24)22-17-21-13(10-26-17)8-15(23)19-9-14-5-2-6-25-14/h1,3-4,7,10,14H,2,5-6,8-9H2,(H,19,23)(H2,20,21,22,24)
InChIKeyRJJNOZRXVDIOAZ-UHFFFAOYSA-N
XLogP3.28
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
CID 27454132
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338988
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40844012
1-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41211525
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 18567713) is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCC1CCCO1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RJJNOZRXVDIOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-11-3-1-4-12(7-11)20-16(24)22-17-21-13(10-26-17)8-15(23)19-9-14-5-2-6-25-14/h1,3-4,7,10,14H,2,5-6,8-9H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 394.88 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 18567713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).