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

C12H20N2S — CID 60983764

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
SMILESCc1ncsc1CNC1CCCCCC1
InChIInChI=1S/C12H20N2S/c1-10-12(15-9-14-10)8-13-11-6-4-2-3-5-7-11/h9,11,13H,2-8H2,1H3
InChIKeyZXPJMJXUJSSQQV-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.26
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine (PubChem CID 60983764) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
PubChem CID60983764
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
SMILESCc1ncsc1CNC1CCCCCC1
InChIInChI=1S/C12H20N2S/c1-10-12(15-9-14-10)8-13-11-6-4-2-3-5-7-11/h9,11,13H,2-8H2,1H3
InChIKeyZXPJMJXUJSSQQV-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

cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclopentan-1-ol
CID 131209084
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 63279843
cis-(1S,2R)-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 126997347
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545327
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one
CID 126934785
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63280017
2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935801
2,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 64761923
N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
CID 114899207

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine (CID 60983764) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine is Cc1ncsc1CNC1CCCCCC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine?
The InChIKey is ZXPJMJXUJSSQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-12(15-9-14-10)8-13-11-6-4-2-3-5-7-11/h9,11,13H,2-8H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine?
N-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine is sourced from PubChem (CID 60983764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).