N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen

C8H14N2OS — CID 171523063

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen
SMILESCCC(=O)NCc1cnc(C)s1.[H][H]
InChIInChI=1S/C8H12N2OS.H2/c1-3-8(11)10-5-7-4-9-6(2)12-7;/h4H,3,5H2,1-2H3,(H,10,11);1H
InChIKeyGMHZEXWNFRPNBY-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.72
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen

N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen (PubChem CID 171523063) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen
PubChem CID171523063
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen
SMILESCCC(=O)NCc1cnc(C)s1.[H][H]
InChIInChI=1S/C8H12N2OS.H2/c1-3-8(11)10-5-7-4-9-6(2)12-7;/h4H,3,5H2,1-2H3,(H,10,11);1H
InChIKeyGMHZEXWNFRPNBY-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2-Chloro-5-thiazolyl)methyl)-N'-methylurea
CID 71372718
[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
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N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 121446729
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47002207
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide
CID 52677539
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 71846432
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]azetidine-3-carboxamide
CID 92633115

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen (CID 171523063) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen is CCC(=O)NCc1cnc(C)s1.[H][H].
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen?
The InChIKey is GMHZEXWNFRPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.H2/c1-3-8(11)10-5-7-4-9-6(2)12-7;/h4H,3,5H2,1-2H3,(H,10,11);1H.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen has a molecular weight of 186.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide;molecular hydrogen is sourced from PubChem (CID 171523063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).