N-(1,3-thiazol-2-ylmethyl)pentanamide

C9H14N2OS — CID 67124836

IUPACN-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCCCCC(=O)NCc1nccs1
InChIInChI=1S/C9H14N2OS/c1-2-3-4-8(12)11-7-9-10-5-6-13-9/h5-6H,2-4,7H2,1H3,(H,11,12)
InChIKeyTXVHWVHFRBCUTH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.95
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)pentanamide

N-(1,3-thiazol-2-ylmethyl)pentanamide (PubChem CID 67124836) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)pentanamide
PubChem CID67124836
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-(1,3-thiazol-2-ylmethyl)pentanamide
SMILESCCCCC(=O)NCc1nccs1
InChIInChI=1S/C9H14N2OS/c1-2-3-4-8(12)11-7-9-10-5-6-13-9/h5-6H,2-4,7H2,1H3,(H,11,12)
InChIKeyTXVHWVHFRBCUTH-UHFFFAOYSA-N
XLogP1.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110738852
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-amino-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
CID 61284260
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)pentanamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)pentanamide (CID 67124836) is N-(1,3-thiazol-2-ylmethyl)pentanamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)pentanamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)pentanamide is CCCCC(=O)NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)pentanamide?
The InChIKey is TXVHWVHFRBCUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-4-8(12)11-7-9-10-5-6-13-9/h5-6H,2-4,7H2,1H3,(H,11,12).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)pentanamide?
N-(1,3-thiazol-2-ylmethyl)pentanamide has a molecular weight of 198.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 67124836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).