N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine

C12H16N2S2 — CID 82515815

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H16N2S2/c1-3-9(2)13-7-10-8-16-12(14-10)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyXPYXHDDMUBECLX-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.76
Rot. Bonds5

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine (PubChem CID 82515815) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
PubChem CID82515815
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H16N2S2/c1-3-9(2)13-7-10-8-16-12(14-10)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyXPYXHDDMUBECLX-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95287787
2-methylsulfanyl-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111440333
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
(2R)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 27261231
2-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 115614557
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 120512015

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine (CID 82515815) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine is CCC(C)NCc1csc(-c2cccs2)n1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine?
The InChIKey is XPYXHDDMUBECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-9(2)13-7-10-8-16-12(14-10)11-5-4-6-15-11/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 82515815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).