[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine

C9H10N2S2 — CID 61282401

IUPAC[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESCc1ccsc1-c1nc(CN)cs1
InChIInChI=1S/C9H10N2S2/c1-6-2-3-12-8(6)9-11-7(4-10)5-13-9/h2-3,5H,4,10H2,1H3
InChIKeyVODHHRRLYOXBRQ-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.64
Rot. Bonds2

About [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine

[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 61282401) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID61282401
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
SMILESCc1ccsc1-c1nc(CN)cs1
InChIInChI=1S/C9H10N2S2/c1-6-2-3-12-8(6)9-11-7(4-10)5-13-9/h2-3,5H,4,10H2,1H3
InChIKeyVODHHRRLYOXBRQ-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine (CID 61282401) is [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine is Cc1ccsc1-c1nc(CN)cs1.
What is the InChIKey of [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is VODHHRRLYOXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-6-2-3-12-8(6)9-11-7(4-10)5-13-9/h2-3,5H,4,10H2,1H3.
What are the key properties of [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine?
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 210.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 61282401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).