(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine

C11H14N2S2 — CID 82106559

IUPAC(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1sc(CN)nc1-c1ccsc1
InChIInChI=1S/C11H14N2S2/c1-7(2)11-10(8-3-4-14-6-8)13-9(5-12)15-11/h3-4,6-7H,5,12H2,1-2H3
InChIKeyOHCFMQNDWHXXHI-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.45
Rot. Bonds3

About (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine

(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 82106559) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
PubChem CID82106559
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1sc(CN)nc1-c1ccsc1
InChIInChI=1S/C11H14N2S2/c1-7(2)11-10(8-3-4-14-6-8)13-9(5-12)15-11/h3-4,6-7H,5,12H2,1-2H3
InChIKeyOHCFMQNDWHXXHI-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine (CID 82106559) is (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine is CC(C)c1sc(CN)nc1-c1ccsc1.
What is the InChIKey of (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is OHCFMQNDWHXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-7(2)11-10(8-3-4-14-6-8)13-9(5-12)15-11/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine?
(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 238.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 82106559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).