N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C16H26N4S — CID 43614274

IUPACN-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCNCc1c(N(C)C2CCCCCC2)nc2sccn12
InChIInChI=1S/C16H26N4S/c1-3-17-12-14-15(18-16-20(14)10-11-21-16)19(2)13-8-6-4-5-7-9-13/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeySERNYJUROHCNNM-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.66
Rot. Bonds5

About N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43614274) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43614274
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCNCc1c(N(C)C2CCCCCC2)nc2sccn12
InChIInChI=1S/C16H26N4S/c1-3-17-12-14-15(18-16-20(14)10-11-21-16)19(2)13-8-6-4-5-7-9-13/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeySERNYJUROHCNNM-UHFFFAOYSA-N
XLogP3.66
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-ethyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476423
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43611473
1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950575
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61452321
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403
N-ethyl-5-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61435596
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 54879823
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61448953
5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43611472
5-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785538

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 43614274) is N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CCNCc1c(N(C)C2CCCCCC2)nc2sccn12.
What is the InChIKey of N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is SERNYJUROHCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-3-17-12-14-15(18-16-20(14)10-11-21-16)19(2)13-8-6-4-5-7-9-13/h10-11,13,17H,3-9,12H2,1-2H3.
What are the key properties of N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43614274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).