1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine

C12H16N2S2 — CID 62653042

IUPAC1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCCc1ccc(-c2csc(CC(C)N)n2)s1
InChIInChI=1S/C12H16N2S2/c1-3-9-4-5-11(16-9)10-7-15-12(14-10)6-8(2)13/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyMLGOBJCSBANVJO-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine

1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 62653042) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID62653042
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCCc1ccc(-c2csc(CC(C)N)n2)s1
InChIInChI=1S/C12H16N2S2/c1-3-9-4-5-11(16-9)10-7-15-12(14-10)6-8(2)13/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyMLGOBJCSBANVJO-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine (CID 62653042) is 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine is CCc1ccc(-c2csc(CC(C)N)n2)s1.
What is the InChIKey of 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is MLGOBJCSBANVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-9-4-5-11(16-9)10-7-15-12(14-10)6-8(2)13/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 62653042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).