2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide

C12H20N2OS — CID 163734386

IUPAC2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](C)C[C@@H](C)c1nc(C(N)=O)cs1
InChIInChI=1S/C12H20N2OS/c1-7(2)8(3)5-9(4)12-14-10(6-16-12)11(13)15/h6-9H,5H2,1-4H3,(H2,13,15)/t8-,9-/m1/s1
InChIKeyLCIFZNYHIOLSKI-RKDXNWHRSA-N
MW240.37 g/mol
LogP3.03
Rot. Bonds5

About 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide

2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 163734386) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID163734386
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](C)C[C@@H](C)c1nc(C(N)=O)cs1
InChIInChI=1S/C12H20N2OS/c1-7(2)8(3)5-9(4)12-14-10(6-16-12)11(13)15/h6-9H,5H2,1-4H3,(H2,13,15)/t8-,9-/m1/s1
InChIKeyLCIFZNYHIOLSKI-RKDXNWHRSA-N
XLogP3.03
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 68749134
ethyl 2-[(2R,4R)-4-[[(2S,3S)-2-azido-3-methylpentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carboxylate
CID 149010808
N-tert-butyl-N-[3-[tert-butyl(carboxylato)amino]-2-(4-carbamoyl-1,3-thiazol-2-yl)propyl]carbamate
CID 71431377
1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 146247305
2-[(2R)-4-amino-2-methyl-4-oxobutyl]-1,3-thiazole-4-carboxamide
CID 173107724
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxamide
CID 79099798
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide (CID 163734386) is 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)[C@H](C)C[C@@H](C)c1nc(C(N)=O)cs1.
What is the InChIKey of 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LCIFZNYHIOLSKI-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-7(2)8(3)5-9(4)12-14-10(6-16-12)11(13)15/h6-9H,5H2,1-4H3,(H2,13,15)/t8-,9-/m1/s1.
What are the key properties of 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide?
2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4,5-dimethylhexan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 163734386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).