2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide

C8H10ClN3O2S — CID 43146246

IUPAC2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide
SMILESCc1cnc(NC(=O)NC(=O)C(C)Cl)s1
InChIInChI=1S/C8H10ClN3O2S/c1-4-3-10-8(15-4)12-7(14)11-6(13)5(2)9/h3,5H,1-2H3,(H2,10,11,12,13,14)
InChIKeyWSYXHXYKOHAKNV-UHFFFAOYSA-N
MW247.71 g/mol
LogP1.73
Rot. Bonds2

About 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide

2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide (PubChem CID 43146246) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide
PubChem CID43146246
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide
SMILESCc1cnc(NC(=O)NC(=O)C(C)Cl)s1
InChIInChI=1S/C8H10ClN3O2S/c1-4-3-10-8(15-4)12-7(14)11-6(13)5(2)9/h3,5H,1-2H3,(H2,10,11,12,13,14)
InChIKeyWSYXHXYKOHAKNV-UHFFFAOYSA-N
XLogP1.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61191664
(2R)-2-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 94024935
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
3-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 81085421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide (CID 43146246) is 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide is Cc1cnc(NC(=O)NC(=O)C(C)Cl)s1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
The InChIKey is WSYXHXYKOHAKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c1-4-3-10-8(15-4)12-7(14)11-6(13)5(2)9/h3,5H,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide has a molecular weight of 247.71 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide is sourced from PubChem (CID 43146246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).