4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide

C12H20N2O2S — CID 111577113

IUPAC4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
SMILESCC(O)CCNC(=O)c1scnc1C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8(15)5-6-13-11(16)9-10(12(2,3)4)14-7-17-9/h7-8,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyMLKFUXUMJPLUBS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.94
Rot. Bonds4

About 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide

4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide (PubChem CID 111577113) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
PubChem CID111577113
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
SMILESCC(O)CCNC(=O)c1scnc1C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8(15)5-6-13-11(16)9-10(12(2,3)4)14-7-17-9/h7-8,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyMLKFUXUMJPLUBS-UHFFFAOYSA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide
CID 91651532
4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 136515701
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide (CID 111577113) is 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide is CC(O)CCNC(=O)c1scnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MLKFUXUMJPLUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(15)5-6-13-11(16)9-10(12(2,3)4)14-7-17-9/h7-8,15H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide?
4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111577113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).