N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine

C12H21N3S — CID 104974370

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
SMILESCc1ncc(CN(C)C2CCCNCC2)s1
InChIInChI=1S/C12H21N3S/c1-10-14-8-12(16-10)9-15(2)11-4-3-6-13-7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyJHZIGPWWLZSZBG-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine (PubChem CID 104974370) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
PubChem CID104974370
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
SMILESCc1ncc(CN(C)C2CCCNCC2)s1
InChIInChI=1S/C12H21N3S/c1-10-14-8-12(16-10)9-15(2)11-4-3-6-13-7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyJHZIGPWWLZSZBG-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-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62212128
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepan-4-amine
CID 107173415
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azepan-4-amine
CID 104979556
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
CID 107172131
N-methyl-N-(thiadiazol-5-ylmethyl)piperidin-3-amine
CID 130600083
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126917500
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
CID 120845518
N'-cyclohexyl-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 60777015

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine (CID 104974370) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine is Cc1ncc(CN(C)C2CCCNCC2)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine?
The InChIKey is JHZIGPWWLZSZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-14-8-12(16-10)9-15(2)11-4-3-6-13-7-5-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-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-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine is sourced from PubChem (CID 104974370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).