N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine

C15H23N3S — CID 43761487

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCc1nc2scc(C)n2c1CNC1CCC(C)CC1
InChIInChI=1S/C15H23N3S/c1-10-4-6-13(7-5-10)16-8-14-12(3)17-15-18(14)11(2)9-19-15/h9-10,13,16H,4-8H2,1-3H3
InChIKeyQNOUQABNTIGPRM-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.68
Rot. Bonds3

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 43761487) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID43761487
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCc1nc2scc(C)n2c1CNC1CCC(C)CC1
InChIInChI=1S/C15H23N3S/c1-10-4-6-13(7-5-10)16-8-14-12(3)17-15-18(14)11(2)9-19-15/h9-10,13,16H,4-8H2,1-3H3
InChIKeyQNOUQABNTIGPRM-UHFFFAOYSA-N
XLogP3.68
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine (CID 43761487) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine is Cc1nc2scc(C)n2c1CNC1CCC(C)CC1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is QNOUQABNTIGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10-4-6-13(7-5-10)16-8-14-12(3)17-15-18(14)11(2)9-19-15/h9-10,13,16H,4-8H2,1-3H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43761487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).