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

C12H16N2S2 — CID 116884857

IUPAC4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
SMILESCc1nc(-c2cccs2)sc1CCC(C)N
InChIInChI=1S/C12H16N2S2/c1-8(13)5-6-10-9(2)14-12(16-10)11-4-3-7-15-11/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyCIHSXPPJYUBPBU-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.46
Rot. Bonds4

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

4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine (PubChem CID 116884857) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
PubChem CID116884857
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine
SMILESCc1nc(-c2cccs2)sc1CCC(C)N
InChIInChI=1S/C12H16N2S2/c1-8(13)5-6-10-9(2)14-12(16-10)11-4-3-7-15-11/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyCIHSXPPJYUBPBU-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884665
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-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
CID 116887132
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
5-(2-chloroethyl)-2,4-dithiophen-2-yl-1,3-thiazole
CID 28709881
2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121789
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine (CID 116884857) is 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine is Cc1nc(-c2cccs2)sc1CCC(C)N.
What is the InChIKey of 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is CIHSXPPJYUBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-8(13)5-6-10-9(2)14-12(16-10)11-4-3-7-15-11/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine?
4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 116884857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).