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

C15H27N3S — CID 65077839

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine
SMILESCNC1(c2nc(C)c(C)s2)CCCN(C(C)C)CC1
InChIInChI=1S/C15H27N3S/c1-11(2)18-9-6-7-15(16-5,8-10-18)14-17-12(3)13(4)19-14/h11,16H,6-10H2,1-5H3
InChIKeyKMDIQPPAHJWUPC-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.07
Rot. Bonds3

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine (PubChem CID 65077839) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine
PubChem CID65077839
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine
SMILESCNC1(c2nc(C)c(C)s2)CCCN(C(C)C)CC1
InChIInChI=1S/C15H27N3S/c1-11(2)18-9-6-7-15(16-5,8-10-18)14-17-12(3)13(4)19-14/h11,16H,6-10H2,1-5H3
InChIKeyKMDIQPPAHJWUPC-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine (CID 65077839) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine is CNC1(c2nc(C)c(C)s2)CCCN(C(C)C)CC1.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine?
The InChIKey is KMDIQPPAHJWUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)18-9-6-7-15(16-5,8-10-18)14-17-12(3)13(4)19-14/h11,16H,6-10H2,1-5H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine has a molecular weight of 281.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65077839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).