4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane

C11H21ClN2OS — CID 177229937

IUPAC4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane
SMILESCC.CC.CC(C)NC(=O)c1nc(Cl)cs1
InChIInChI=1S/C7H9ClN2OS.2C2H6/c1-4(2)9-6(11)7-10-5(8)3-12-7;2*1-2/h3-4H,1-2H3,(H,9,11);2*1-2H3
InChIKeySMUQXRSHGRUGCV-UHFFFAOYSA-N
MW264.82 g/mol
LogP3.99
Rot. Bonds2

About 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane

4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane (PubChem CID 177229937) has the molecular formula C11H21ClN2OS and a molecular weight of 264.82 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane
PubChem CID177229937
Molecular FormulaC11H21ClN2OS
Molecular Weight264.82 g/mol
Exact Mass264.11
IUPAC Name4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane
SMILESCC.CC.CC(C)NC(=O)c1nc(Cl)cs1
InChIInChI=1S/C7H9ClN2OS.2C2H6/c1-4(2)9-6(11)7-10-5(8)3-12-7;2*1-2/h3-4H,1-2H3,(H,9,11);2*1-2H3
InChIKeySMUQXRSHGRUGCV-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane?
The IUPAC name of 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane (CID 177229937) is 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane.
What is the SMILES notation for 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane?
The canonical SMILES for 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane is CC.CC.CC(C)NC(=O)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane?
The InChIKey is SMUQXRSHGRUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS.2C2H6/c1-4(2)9-6(11)7-10-5(8)3-12-7;2*1-2/h3-4H,1-2H3,(H,9,11);2*1-2H3.
What are the key properties of 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane?
4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane has a molecular weight of 264.82 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane is sourced from PubChem (CID 177229937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).