N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide

C9H14N2OS — CID 70669475

IUPACN-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-6-5-10-8(13-6)7(12)11-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyURMVBQSVJRDUSV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.98
Rot. Bonds1

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

N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 70669475) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID70669475
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-6-5-10-8(13-6)7(12)11-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyURMVBQSVJRDUSV-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Azepan-1-yl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
CID 86789739
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 70669497
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
N-((1r,4r)-4-aminocyclohexyl)-5-methylthiazole-2-carboxamide
CID 132228031
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60958351
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958377
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 79805415
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 79805983
2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 86789746
2,2-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103515994
2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 104213898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide (CID 70669475) is N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is URMVBQSVJRDUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-5-10-8(13-6)7(12)11-9(2,3)4/h5H,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide?
N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70669475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).