N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine

C15H25ClN2S — CID 43614325

IUPACN-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine
SMILESCN(CCCc1nc(CCl)cs1)C1CCCCCC1
InChIInChI=1S/C15H25ClN2S/c1-18(14-7-4-2-3-5-8-14)10-6-9-15-17-13(11-16)12-19-15/h12,14H,2-11H2,1H3
InChIKeyJTQBZTKPZZUNCG-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.47
Rot. Bonds6

About N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine

N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine (PubChem CID 43614325) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine
PubChem CID43614325
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine
SMILESCN(CCCc1nc(CCl)cs1)C1CCCCCC1
InChIInChI=1S/C15H25ClN2S/c1-18(14-7-4-2-3-5-8-14)10-6-9-15-17-13(11-16)12-19-15/h12,14H,2-11H2,1H3
InChIKeyJTQBZTKPZZUNCG-UHFFFAOYSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-N-methylcycloheptanamine
CID 43614327
N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 61449114
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(1-cyclopropylethyl)-N-methylpropan-1-amine
CID 43569459
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-N-propylcyclopropanamine
CID 54967198
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-N,2-dimethyloxolan-3-amine
CID 82748423
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylbutan-2-amine
CID 43273176
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N,3-dimethylbutan-1-amine
CID 61428899
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 113336000
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 65486866
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-bis(2-methoxyethyl)propan-1-amine
CID 61418492
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55012448

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine?
The IUPAC name of N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine (CID 43614325) is N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine is CN(CCCc1nc(CCl)cs1)C1CCCCCC1.
What is the InChIKey of N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine?
The InChIKey is JTQBZTKPZZUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-18(14-7-4-2-3-5-8-14)10-6-9-15-17-13(11-16)12-19-15/h12,14H,2-11H2,1H3.
What are the key properties of N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine?
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine has a molecular weight of 300.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine is sourced from PubChem (CID 43614325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).