N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane

C11H19ClN2OS — CID 171646344

IUPACN-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane
SMILESCC.CC(=O)Nc1nc(Cl)c(CC(C)C)s1
InChIInChI=1S/C9H13ClN2OS.C2H6/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13;1-2/h5H,4H2,1-3H3,(H,11,12,13);1-2H3
InChIKeyWHAKPOORUSTNNU-UHFFFAOYSA-N
MW262.81 g/mol
LogP3.98
Rot. Bonds3

About N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane

N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane (PubChem CID 171646344) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane
PubChem CID171646344
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC NameN-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane
SMILESCC.CC(=O)Nc1nc(Cl)c(CC(C)C)s1
InChIInChI=1S/C9H13ClN2OS.C2H6/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13;1-2/h5H,4H2,1-3H3,(H,11,12,13);1-2H3
InChIKeyWHAKPOORUSTNNU-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane?
The IUPAC name of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane (CID 171646344) is N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane.
What is the SMILES notation for N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane?
The canonical SMILES for N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane is CC.CC(=O)Nc1nc(Cl)c(CC(C)C)s1.
What is the InChIKey of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane?
The InChIKey is WHAKPOORUSTNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS.C2H6/c1-5(2)4-7-8(10)12-9(14-7)11-6(3)13;1-2/h5H,4H2,1-3H3,(H,11,12,13);1-2H3.
What are the key properties of N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane?
N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane has a molecular weight of 262.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide;ethane is sourced from PubChem (CID 171646344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).