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

C11H18N2OS2 — CID 5329704

IUPACN-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCCC(CC)CSc1cnc(NC(C)=O)s1
InChIInChI=1S/C11H18N2OS2/c1-4-9(5-2)7-15-10-6-12-11(16-10)13-8(3)14/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyMQJCOGRDOCUYCC-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.63
Rot. Bonds6

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

N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329704) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329704
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC NameN-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCCC(CC)CSc1cnc(NC(C)=O)s1
InChIInChI=1S/C11H18N2OS2/c1-4-9(5-2)7-15-10-6-12-11(16-10)13-8(3)14/h6,9H,4-5,7H2,1-3H3,(H,12,13,14)
InChIKeyMQJCOGRDOCUYCC-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329704) is N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide is CCC(CC)CSc1cnc(NC(C)=O)s1.
What is the InChIKey of N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MQJCOGRDOCUYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-4-9(5-2)7-15-10-6-12-11(16-10)13-8(3)14/h6,9H,4-5,7H2,1-3H3,(H,12,13,14).
What are the key properties of N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 258.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylbutylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).