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

C11H14N2S2 — CID 114361469

IUPAC(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(-c2ccsc2)sc1CN
InChIInChI=1S/C11H14N2S2/c1-7(2)10-9(5-12)15-11(13-10)8-3-4-14-6-8/h3-4,6-7H,5,12H2,1-2H3
InChIKeyAOPGRFGPZZDIEY-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.45
Rot. Bonds3

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

(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 114361469) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
PubChem CID114361469
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
SMILESCC(C)c1nc(-c2ccsc2)sc1CN
InChIInChI=1S/C11H14N2S2/c1-7(2)10-9(5-12)15-11(13-10)8-3-4-14-6-8/h3-4,6-7H,5,12H2,1-2H3
InChIKeyAOPGRFGPZZDIEY-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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Related Compounds

(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 62403368
[2-(6-methoxypyridazin-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 103375118
2-(4-phenyl-2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 79786144
(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106559
(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 114361405
4-[4-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889307
2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 156613193
ethyl 5-(2-methylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 59345263
1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82433931
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
4-butan-2-yl-2-thiophen-3-yl-1,3-thiazole
CID 115686479

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine (CID 114361469) is (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine is CC(C)c1nc(-c2ccsc2)sc1CN.
What is the InChIKey of (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is AOPGRFGPZZDIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-7(2)10-9(5-12)15-11(13-10)8-3-4-14-6-8/h3-4,6-7H,5,12H2,1-2H3.
What are the key properties of (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine?
(4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-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 (4-propan-2-yl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114361469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).