3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine

C12H16N2S2 — CID 116884789

IUPAC3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1nc(-c2cccs2)sc1C(C)CCN
InChIInChI=1S/C12H16N2S2/c1-8(5-6-13)11-9(2)14-12(16-11)10-4-3-7-15-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyBXVXFNFELIWDSH-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.63
Rot. Bonds4

About 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine

3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 116884789) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID116884789
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1nc(-c2cccs2)sc1C(C)CCN
InChIInChI=1S/C12H16N2S2/c1-8(5-6-13)11-9(2)14-12(16-11)10-4-3-7-15-10/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyBXVXFNFELIWDSH-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884791
3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884799
3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116884811
4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
CID 116884857
2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
CID 116887132
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-1-amine
CID 116892964
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82427273
2-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884597
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine (CID 116884789) is 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine is Cc1nc(-c2cccs2)sc1C(C)CCN.
What is the InChIKey of 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is BXVXFNFELIWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8(5-6-13)11-9(2)14-12(16-11)10-4-3-7-15-10/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine?
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 116884789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).