2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine

C17H31N3S — CID 82433222

IUPAC2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CCN2CCCCCC2)sc1C(C)(C)N
InChIInChI=1S/C17H31N3S/c1-4-9-14-16(17(2,3)18)21-15(19-14)10-13-20-11-7-5-6-8-12-20/h4-13,18H2,1-3H3
InChIKeyGHVAIEMGAKWOQE-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.71
Rot. Bonds6

About 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82433222) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82433222
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CCN2CCCCCC2)sc1C(C)(C)N
InChIInChI=1S/C17H31N3S/c1-4-9-14-16(17(2,3)18)21-15(19-14)10-13-20-11-7-5-6-8-12-20/h4-13,18H2,1-3H3
InChIKeyGHVAIEMGAKWOQE-UHFFFAOYSA-N
XLogP3.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82433136
2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430776
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
4-butyl-2-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227551
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82430835
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515335
2-[4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82427748
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine (CID 82433222) is 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine is CCCc1nc(CCN2CCCCCC2)sc1C(C)(C)N.
What is the InChIKey of 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is GHVAIEMGAKWOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-4-9-14-16(17(2,3)18)21-15(19-14)10-13-20-11-7-5-6-8-12-20/h4-13,18H2,1-3H3.
What are the key properties of 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82433222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).