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

C12H21N3S — CID 103859828

IUPAC1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
SMILESCc1cnc(CNC2CCCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-10-8-14-12(16-10)9-13-11-4-3-6-15(2)7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyCCTNWHJIEYKETA-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds3

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

1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine (PubChem CID 103859828) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
PubChem CID103859828
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
SMILESCc1cnc(CNC2CCCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-10-8-14-12(16-10)9-13-11-4-3-6-15(2)7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyCCTNWHJIEYKETA-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-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
CID 65070599
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 124731701

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine (CID 103859828) is 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine is Cc1cnc(CNC2CCCN(C)CC2)s1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine?
The InChIKey is CCTNWHJIEYKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-8-14-12(16-10)9-13-11-4-3-6-15(2)7-5-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine?
1-methyl-N-[(5-methyl-1,3-thiazol-2-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 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 103859828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).