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

C14H23N3S — CID 65074762

IUPACN-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCc1csc(C2(NC3CC3)CCCN(C)CC2)n1
InChIInChI=1S/C14H23N3S/c1-11-10-18-13(15-11)14(16-12-4-5-12)6-3-8-17(2)9-7-14/h10,12,16H,3-9H2,1-2H3
InChIKeyLSXXBZFHVDLCPC-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.51
Rot. Bonds3

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

N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine (PubChem CID 65074762) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
PubChem CID65074762
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCc1csc(C2(NC3CC3)CCCN(C)CC2)n1
InChIInChI=1S/C14H23N3S/c1-11-10-18-13(15-11)14(16-12-4-5-12)6-3-8-17(2)9-7-14/h10,12,16H,3-9H2,1-2H3
InChIKeyLSXXBZFHVDLCPC-UHFFFAOYSA-N
XLogP2.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254
N-cyclopropyl-4-(4-methyl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
CID 65077349
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-1-methylpiperidin-4-amine
CID 61333512
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
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 61335833
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65085574
1-(2-methoxyphenyl)-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]pyrrolidin-2-one
CID 167992076
N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077299

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The IUPAC name of N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine (CID 65074762) is N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine.
What is the SMILES notation for N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The canonical SMILES for N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine is Cc1csc(C2(NC3CC3)CCCN(C)CC2)n1.
What is the InChIKey of N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The InChIKey is LSXXBZFHVDLCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-10-18-13(15-11)14(16-12-4-5-12)6-3-8-17(2)9-7-14/h10,12,16H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine has a molecular weight of 265.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine is sourced from PubChem (CID 65074762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).