N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine

C16H27N3S — CID 65077349

IUPACN-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CC2)(c2nc(C)cs2)CC1
InChIInChI=1S/C16H27N3S/c1-3-9-19-10-4-7-16(8-11-19,18-14-5-6-14)15-17-13(2)12-20-15/h12,14,18H,3-11H2,1-2H3
InChIKeyVWEPYGNAMLSDAR-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.29
Rot. Bonds5

About N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine

N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine (PubChem CID 65077349) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
PubChem CID65077349
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CC2)(c2nc(C)cs2)CC1
InChIInChI=1S/C16H27N3S/c1-3-9-19-10-4-7-16(8-11-19,18-14-5-6-14)15-17-13(2)12-20-15/h12,14,18H,3-11H2,1-2H3
InChIKeyVWEPYGNAMLSDAR-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074762
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254
N-cyclopropyl-4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-propylpiperidin-4-amine
CID 61334084
N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
CID 65077595
N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077299
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine
CID 61333512
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
CID 114819099
1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65077391
N-(2-methoxyethyl)-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
CID 65074914
N-cyclopropyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335851

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine?
The IUPAC name of N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine (CID 65077349) is N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine.
What is the SMILES notation for N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine?
The canonical SMILES for N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine is CCCN1CCCC(NC2CC2)(c2nc(C)cs2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine?
The InChIKey is VWEPYGNAMLSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-9-19-10-4-7-16(8-11-19,18-14-5-6-14)15-17-13(2)12-20-15/h12,14,18H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine?
N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine has a molecular weight of 293.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine is sourced from PubChem (CID 65077349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).