(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C17H27N3S — CID 81388364

IUPAC(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2scc(C)n2c1CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C17H27N3S/c1-12-11-21-17-19-14(3)16(20(12)17)10-18-13(2)15-8-6-4-5-7-9-15/h11,13,15,18H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyXJEIMEAEDJWWCB-ZDUSSCGKSA-N
MW305.49 g/mol
LogP4.46
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 81388364) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID81388364
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCc1nc2scc(C)n2c1CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C17H27N3S/c1-12-11-21-17-19-14(3)16(20(12)17)10-18-13(2)15-8-6-4-5-7-9-15/h11,13,15,18H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyXJEIMEAEDJWWCB-ZDUSSCGKSA-N
XLogP4.46
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 81388364) is (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is Cc1nc2scc(C)n2c1CN[C@@H](C)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is XJEIMEAEDJWWCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N3S/c1-12-11-21-17-19-14(3)16(20(12)17)10-18-13(2)15-8-6-4-5-7-9-15/h11,13,15,18H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 305.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81388364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).