1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine

C17H31N3S — CID 65078039

IUPAC1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
SMILESCCc1nc(C2(NC(C)C)CCCN(CC)CC2)sc1C
InChIInChI=1S/C17H31N3S/c1-6-15-14(5)21-16(18-15)17(19-13(3)4)9-8-11-20(7-2)12-10-17/h13,19H,6-12H2,1-5H3
InChIKeyWYEGECVJRWOMMO-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.71
Rot. Bonds5

About 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine

1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine (PubChem CID 65078039) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
PubChem CID65078039
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine
SMILESCCc1nc(C2(NC(C)C)CCCN(CC)CC2)sc1C
InChIInChI=1S/C17H31N3S/c1-6-15-14(5)21-16(18-15)17(19-13(3)4)9-8-11-20(7-2)12-10-17/h13,19H,6-12H2,1-5H3
InChIKeyWYEGECVJRWOMMO-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 84784897
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 116535727
N-ethyl-2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-amine
CID 116535735
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 116535743
2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine
CID 116535748
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6,6,6-trifluorohexan-2-yl]cyclopropanamine
CID 116535754
6-Methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 19969929
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine
CID 58519653
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-2-amine
CID 58519677
6-Cyclobutyl-2-(4-piperidinyl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine
CID 59755884
2-Isopropyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine
CID 84667138
2,8-Dimethyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine hydrobromic acid
CID 86686502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine?
The IUPAC name of 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine (CID 65078039) is 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine.
What is the SMILES notation for 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine?
The canonical SMILES for 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine is CCc1nc(C2(NC(C)C)CCCN(CC)CC2)sc1C.
What is the InChIKey of 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine?
The InChIKey is WYEGECVJRWOMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-15-14(5)21-16(18-15)17(19-13(3)4)9-8-11-20(7-2)12-10-17/h13,19H,6-12H2,1-5H3.
What are the key properties of 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine?
1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine has a molecular weight of 309.52 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65078039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).