4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide

C8H9ClN2OS — CID 130660610

IUPAC4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide
SMILESCC1(NC(=O)c2nc(Cl)cs2)CC1
InChIInChI=1S/C8H9ClN2OS/c1-8(2-3-8)11-6(12)7-10-5(9)4-13-7/h4H,2-3H2,1H3,(H,11,12)
InChIKeyRVALRUPISYYZPR-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide

4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide (PubChem CID 130660610) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide
PubChem CID130660610
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide
SMILESCC1(NC(=O)c2nc(Cl)cs2)CC1
InChIInChI=1S/C8H9ClN2OS/c1-8(2-3-8)11-6(12)7-10-5(9)4-13-7/h4H,2-3H2,1H3,(H,11,12)
InChIKeyRVALRUPISYYZPR-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide (CID 130660610) is 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide is CC1(NC(=O)c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is RVALRUPISYYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-8(2-3-8)11-6(12)7-10-5(9)4-13-7/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide?
4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 216.69 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylcyclopropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130660610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).