1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine

C14H22N2OS — CID 104749809

IUPAC1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
SMILESNC1(c2nc(C3CCOC3)cs2)CCCCCC1
InChIInChI=1S/C14H22N2OS/c15-14(6-3-1-2-4-7-14)13-16-12(10-18-13)11-5-8-17-9-11/h10-11H,1-9,15H2
InChIKeyIZCZSAVVXWDKQB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.16
Rot. Bonds2

About 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine

1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine (PubChem CID 104749809) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
PubChem CID104749809
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
SMILESNC1(c2nc(C3CCOC3)cs2)CCCCCC1
InChIInChI=1S/C14H22N2OS/c15-14(6-3-1-2-4-7-14)13-16-12(10-18-13)11-5-8-17-9-11/h10-11H,1-9,15H2
InChIKeyIZCZSAVVXWDKQB-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 128922225
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
CID 63906078
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
1-(4-pyrrolidin-3-yl-1,3-thiazol-2-yl)cyclopropan-1-amine
CID 105463518
1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]cyclobutane-1-carboxylic acid
CID 116967040
1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61336907
1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61330263
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405815
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The IUPAC name of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine (CID 104749809) is 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine is NC1(c2nc(C3CCOC3)cs2)CCCCCC1.
What is the InChIKey of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The InChIKey is IZCZSAVVXWDKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c15-14(6-3-1-2-4-7-14)13-16-12(10-18-13)11-5-8-17-9-11/h10-11H,1-9,15H2.
What are the key properties of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine has a molecular weight of 266.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine is sourced from PubChem (CID 104749809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).