N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide

C10H16N2OS — CID 53498235

IUPACN-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-6-8(14-7(2)11-6)9(13)12-10(3,4)5/h1-5H3,(H,12,13)
InChIKeyMWBJQZIPHWLQBI-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.29
Rot. Bonds1

About N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 53498235) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID53498235
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-6-8(14-7(2)11-6)9(13)12-10(3,4)5/h1-5H3,(H,12,13)
InChIKeyMWBJQZIPHWLQBI-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 53498235) is N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MWBJQZIPHWLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-8(14-7(2)11-6)9(13)12-10(3,4)5/h1-5H3,(H,12,13).
What are the key properties of N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53498235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).