4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine

C15H27N3OS — CID 103363125

IUPAC4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCCN(c2snc(N)c2OC(C)C)CC1
InChIInChI=1S/C15H27N3OS/c1-4-6-12-7-5-9-18(10-8-12)15-13(19-11(2)3)14(16)17-20-15/h11-12H,4-10H2,1-3H3,(H2,16,17)
InChIKeyOWJKBVOOGORXGG-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.92
Rot. Bonds5

About 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine

4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine (PubChem CID 103363125) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
PubChem CID103363125
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCCN(c2snc(N)c2OC(C)C)CC1
InChIInChI=1S/C15H27N3OS/c1-4-6-12-7-5-9-18(10-8-12)15-13(19-11(2)3)14(16)17-20-15/h11-12H,4-10H2,1-3H3,(H2,16,17)
InChIKeyOWJKBVOOGORXGG-UHFFFAOYSA-N
XLogP3.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363122
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361617
1-[4-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361512
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 103362018
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
5-(3,3-diethylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364562
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol
CID 103365502
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363126
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364368
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine (CID 103363125) is 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine is CCCC1CCCN(c2snc(N)c2OC(C)C)CC1.
What is the InChIKey of 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The InChIKey is OWJKBVOOGORXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-6-12-7-5-9-18(10-8-12)15-13(19-11(2)3)14(16)17-20-15/h11-12H,4-10H2,1-3H3,(H2,16,17).
What are the key properties of 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine has a molecular weight of 297.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103363125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).