N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine

C12H21N3S — CID 63836858

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine
SMILESCc1ncsc1CN(C)C1CCCCNC1
InChIInChI=1S/C12H21N3S/c1-10-12(16-9-14-10)8-15(2)11-5-3-4-6-13-7-11/h9,11,13H,3-8H2,1-2H3
InChIKeyWBNMWLHJMQUOHR-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine (PubChem CID 63836858) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine
PubChem CID63836858
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine
SMILESCc1ncsc1CN(C)C1CCCCNC1
InChIInChI=1S/C12H21N3S/c1-10-12(16-9-14-10)8-15(2)11-5-3-4-6-13-7-11/h9,11,13H,3-8H2,1-2H3
InChIKeyWBNMWLHJMQUOHR-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
CID 63836900
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azepan-4-amine
CID 104979556
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azetidin-3-amine
CID 66188326
N-methyl-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 82760579
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
2-(azetidin-3-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 64610217
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107069286

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine (CID 63836858) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine is Cc1ncsc1CN(C)C1CCCCNC1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine?
The InChIKey is WBNMWLHJMQUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-12(16-9-14-10)8-15(2)11-5-3-4-6-13-7-11/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine has a molecular weight of 239.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-3-amine is sourced from PubChem (CID 63836858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).