molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C8H14N2OS — CID 142207701

IUPACmolecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C(C)C)cs1.[H][H]
InChIInChI=1S/C8H12N2OS.H2/c1-5(2)7-4-12-8(10-7)9-6(3)11;/h4-5H,1-3H3,(H,9,10,11);1H
InChIKeyXVKMGHIXZXLGNO-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.47
Rot. Bonds2

About molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 142207701) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID142207701
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Namemolecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C(C)C)cs1.[H][H]
InChIInChI=1S/C8H12N2OS.H2/c1-5(2)7-4-12-8(10-7)9-6(3)11;/h4-5H,1-3H3,(H,9,10,11);1H
InChIKeyXVKMGHIXZXLGNO-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 4272947
2-((5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7184030
N-(4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2679296
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1235811
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 60741010
2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
CID 64557722
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2221983
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 142207701) is molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(C(C)C)cs1.[H][H].
What is the InChIKey of molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XVKMGHIXZXLGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.H2/c1-5(2)7-4-12-8(10-7)9-6(3)11;/h4-5H,1-3H3,(H,9,10,11);1H.
What are the key properties of molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 186.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 142207701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).