4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide

C14H22ClN3O2S — CID 126812230

IUPAC4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(Cl)c(C(=O)NC2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C14H22ClN3O2S/c1-13(2)7-8(14(3,4)20-13)16-11(19)9-10(15)17-12(21-9)18(5)6/h8H,7H2,1-6H3,(H,16,19)
InChIKeyPFPIHDGMNBMKLF-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide

4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 126812230) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID126812230
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(Cl)c(C(=O)NC2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C14H22ClN3O2S/c1-13(2)7-8(14(3,4)20-13)16-11(19)9-10(15)17-12(21-9)18(5)6/h8H,7H2,1-6H3,(H,16,19)
InChIKeyPFPIHDGMNBMKLF-UHFFFAOYSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide (CID 126812230) is 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide is CN(C)c1nc(Cl)c(C(=O)NC2CC(C)(C)OC2(C)C)s1.
What is the InChIKey of 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PFPIHDGMNBMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-13(2)7-8(14(3,4)20-13)16-11(19)9-10(15)17-12(21-9)18(5)6/h8H,7H2,1-6H3,(H,16,19).
What are the key properties of 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide?
4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 331.87 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(dimethylamino)-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126812230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).