N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide

C9H14N2OS2 — CID 5329696

IUPACN-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCC(C)C)s1
InChIInChI=1S/C9H14N2OS2/c1-6(2)5-13-8-4-10-9(14-8)11-7(3)12/h4,6H,5H2,1-3H3,(H,10,11,12)
InChIKeyGVNMXZVKIFCTPL-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.85
Rot. Bonds4

About N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide

N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329696) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329696
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC NameN-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCC(C)C)s1
InChIInChI=1S/C9H14N2OS2/c1-6(2)5-13-8-4-10-9(14-8)11-7(3)12/h4,6H,5H2,1-3H3,(H,10,11,12)
InChIKeyGVNMXZVKIFCTPL-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329696) is N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCC(C)C)s1.
What is the InChIKey of N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GVNMXZVKIFCTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-6(2)5-13-8-4-10-9(14-8)11-7(3)12/h4,6H,5H2,1-3H3,(H,10,11,12).
What are the key properties of N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 230.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).