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

C12H16N2S2 — CID 8750708

IUPAC4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C12H16N2S2/c1-4-9-5-6-11(16-9)10-7-15-12(14-10)13-8(2)3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyGYIVOKJJQZRAQE-UHFFFAOYSA-N
MW252.41 g/mol
LogP4.25
Rot. Bonds4

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

4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 8750708) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID8750708
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C12H16N2S2/c1-4-9-5-6-11(16-9)10-7-15-12(14-10)13-8(2)3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyGYIVOKJJQZRAQE-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 8750708) is 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is CCc1ccc(-c2csc(NC(C)C)n2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is GYIVOKJJQZRAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-4-9-5-6-11(16-9)10-7-15-12(14-10)13-8(2)3/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 252.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 8750708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).