2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C8H8Cl2N2OS — CID 17391967

IUPAC2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C8H8Cl2N2OS/c1-4-3-11-7(14-4)12-6(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,11,12,13)
InChIKeyVMEWRQXXBBEWKS-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.58
Rot. Bonds2

About 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 17391967) has the molecular formula C8H8Cl2N2OS and a molecular weight of 251.14 g/mol. Its IUPAC name is 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID17391967
Molecular FormulaC8H8Cl2N2OS
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C8H8Cl2N2OS/c1-4-3-11-7(14-4)12-6(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,11,12,13)
InChIKeyVMEWRQXXBBEWKS-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Isopropyl-thiazol-2-yl)-isobutyramide
CID 44396116
2-Acetamido-5-methylthiazole
CID 298507
2-Chloro-N-(5-methyl-thiazol-2-yl)-acetamide
CID 846121
2,2-dibromo-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 4069823
N-(5-cyanothiazol-2-yl)cyclopropanecarboxamide
CID 52417473
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 25661258
(1R)-2,2-difluoro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 164633885
4-chloro-2,2,3,3,4,4-hexafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 4287941
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 151164719
N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 12393065
N-(2-methylpropyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 813335
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 813377

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 17391967) is 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Cc1cnc(NC(=O)C2CC2(Cl)Cl)s1.
What is the InChIKey of 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is VMEWRQXXBBEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2OS/c1-4-3-11-7(14-4)12-6(13)5-2-8(5,9)10/h3,5H,2H2,1H3,(H,11,12,13).
What are the key properties of 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 251.14 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 17391967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).