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

C9H9ClN2OS — CID 82081446

IUPAC[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1-c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c1-5-9(13-8(4-11)12-5)6-2-3-7(10)14-6/h2-3H,4,11H2,1H3
InChIKeyXKLPVPLPKCHGQU-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.82
Rot. Bonds2

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

[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine (PubChem CID 82081446) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine
PubChem CID82081446
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine
SMILESCc1nc(CN)oc1-c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2OS/c1-5-9(13-8(4-11)12-5)6-2-3-7(10)14-6/h2-3H,4,11H2,1H3
InChIKeyXKLPVPLPKCHGQU-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 [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine (CID 82081446) is [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine is Cc1nc(CN)oc1-c1ccc(Cl)s1.
What is the InChIKey of [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine?
The InChIKey is XKLPVPLPKCHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-5-9(13-8(4-11)12-5)6-2-3-7(10)14-6/h2-3H,4,11H2,1H3.
What are the key properties of [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine?
[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-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 [5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82081446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).