5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine

C14H24N2OS — CID 79774505

IUPAC5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC2CCCCCC2)s1
InChIInChI=1S/C14H24N2OS/c1-2-9-15-14-16-10-13(18-14)11-17-12-7-5-3-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,15,16)
InChIKeyRRMQIAZJFGHMGW-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.20
Rot. Bonds6

About 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine

5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774505) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID79774505
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC2CCCCCC2)s1
InChIInChI=1S/C14H24N2OS/c1-2-9-15-14-16-10-13(18-14)11-17-12-7-5-3-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,15,16)
InChIKeyRRMQIAZJFGHMGW-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79773903
5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
CID 79773835
N-ethyl-5-(oxan-4-yloxymethyl)-1,3-thiazol-2-amine
CID 79774031
5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 114157919
N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775261
5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774588
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 102966743
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771437
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[2-(3-methoxypropoxy)ethoxymethyl]-N-propyl-1,3-thiazol-2-amine
CID 103180550

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine (CID 79774505) is 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COC2CCCCCC2)s1.
What is the InChIKey of 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is RRMQIAZJFGHMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-9-15-14-16-10-13(18-14)11-17-12-7-5-3-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,15,16).
What are the key properties of 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine?
5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).