N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide

C8H12N2O2S — CID 63038066

IUPACN-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cscn1
InChIInChI=1S/C8H12N2O2S/c1-6(3-12-2)10-8(11)7-4-13-5-9-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyHOQKSTGBAJGFFJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.91
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide

N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63038066) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID63038066
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOCC(C)NC(=O)c1cscn1
InChIInChI=1S/C8H12N2O2S/c1-6(3-12-2)10-8(11)7-4-13-5-9-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyHOQKSTGBAJGFFJ-UHFFFAOYSA-N
XLogP0.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide (CID 63038066) is N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide is COCC(C)NC(=O)c1cscn1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HOQKSTGBAJGFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(3-12-2)10-8(11)7-4-13-5-9-7/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide?
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).