[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine

C9H9ClN2OS — CID 82128361

IUPAC[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(Cl)s2)c(CN)o1
InChIInChI=1S/C9H9ClN2OS/c1-5-12-9(6(4-11)13-5)7-2-3-8(10)14-7/h2-3H,4,11H2,1H3
InChIKeyJXVGZEZXQYHLDA-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.82
Rot. Bonds2

About [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine

[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine (PubChem CID 82128361) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine
PubChem CID82128361
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(Cl)s2)c(CN)o1
InChIInChI=1S/C9H9ClN2OS/c1-5-12-9(6(4-11)13-5)7-2-3-8(10)14-7/h2-3H,4,11H2,1H3
InChIKeyJXVGZEZXQYHLDA-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine (CID 82128361) is [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine is Cc1nc(-c2ccc(Cl)s2)c(CN)o1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine?
The InChIKey is JXVGZEZXQYHLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-5-12-9(6(4-11)13-5)7-2-3-8(10)14-7/h2-3H,4,11H2,1H3.
What are the key properties of [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine?
[4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine has a molecular weight of 228.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 82128361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).