2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide

C15H18N4O2S — CID 18567678

IUPAC2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c1-2-8-16-13(20)9-12-10-22-15(18-12)19-14(21)17-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,20)(H2,17,18,19,21)
InChIKeyFTXBOZBWXYGGCY-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide

2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 18567678) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID18567678
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c1-2-8-16-13(20)9-12-10-22-15(18-12)19-14(21)17-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,20)(H2,17,18,19,21)
InChIKeyFTXBOZBWXYGGCY-UHFFFAOYSA-N
XLogP2.86
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843
2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211433
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide
CID 41158629
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4129925
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 16813547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide (CID 18567678) is 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide is CCCNC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is FTXBOZBWXYGGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-8-16-13(20)9-12-10-22-15(18-12)19-14(21)17-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide?
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 18567678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).