1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine

C11H18N2S — CID 112642126

IUPAC1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
SMILESNC1(Cc2cncs2)CCCCCC1
InChIInChI=1S/C11H18N2S/c12-11(5-3-1-2-4-6-11)7-10-8-13-9-14-10/h8-9H,1-7,12H2
InChIKeyWUQNOSIHZMJMNQ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.74
Rot. Bonds2

About 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine

1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine (PubChem CID 112642126) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
PubChem CID112642126
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
SMILESNC1(Cc2cncs2)CCCCCC1
InChIInChI=1S/C11H18N2S/c12-11(5-3-1-2-4-6-11)7-10-8-13-9-14-10/h8-9H,1-7,12H2
InChIKeyWUQNOSIHZMJMNQ-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642190
3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642173
[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
CID 112645220
2-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642174
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
2-(1,3-thiazol-5-ylmethyl)thiolane-2-carbonitrile
CID 112645135
[1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759471
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 62758172
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641803
1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde
CID 130672635
[1-(1-phenylcyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105217549
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine (CID 112642126) is 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine is NC1(Cc2cncs2)CCCCCC1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
The InChIKey is WUQNOSIHZMJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c12-11(5-3-1-2-4-6-11)7-10-8-13-9-14-10/h8-9H,1-7,12H2.
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine?
1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 112642126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).