N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

C10H16N2OS — CID 39855037

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cnc(C)s1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-10(13)12-7-9-6-11-8(2)14-9/h6H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyLCQNDCSTXOQRLK-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 39855037) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID39855037
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cnc(C)s1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-10(13)12-7-9-6-11-8(2)14-9/h6H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyLCQNDCSTXOQRLK-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 39855037) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is CCCCC(=O)NCc1cnc(C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is LCQNDCSTXOQRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-10(13)12-7-9-6-11-8(2)14-9/h6H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 212.32 g/mol, XLogP of 2.26, 5 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]pentanamide is sourced from PubChem (CID 39855037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).