N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine

C12H20N2S — CID 115655830

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
SMILESCc1cnc(CNC2CCCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-10-8-14-12(15-10)9-13-11-6-4-2-3-5-7-11/h8,11,13H,2-7,9H2,1H3
InChIKeyZBTUUBZRNVBXLR-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.26
Rot. Bonds3

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine (PubChem CID 115655830) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
PubChem CID115655830
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
SMILESCc1cnc(CNC2CCCCCC2)s1
InChIInChI=1S/C12H20N2S/c1-10-8-14-12(15-10)9-13-11-6-4-2-3-5-7-11/h8,11,13H,2-7,9H2,1H3
InChIKeyZBTUUBZRNVBXLR-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
cis-(1R,3S)-3-methylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 124731701
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53273401

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine (CID 115655830) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine is Cc1cnc(CNC2CCCCCC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine?
The InChIKey is ZBTUUBZRNVBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-8-14-12(15-10)9-13-11-6-4-2-3-5-7-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine has a molecular weight of 224.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine is sourced from PubChem (CID 115655830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).