N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

C15H18N4S2 — CID 102926145

IUPACN-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2cc(C)cc(C)n2)nc2sccn12
InChIInChI=1S/C15H18N4S2/c1-4-16-9-12-14(18-15-19(12)5-6-20-15)21-13-8-10(2)7-11(3)17-13/h5-8,16H,4,9H2,1-3H3
InChIKeyCNUYSQZIBPIMSQ-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.67
Rot. Bonds5

About N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 102926145) has the molecular formula C15H18N4S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID102926145
Molecular FormulaC15H18N4S2
Molecular Weight318.47 g/mol
Exact Mass318.10
IUPAC NameN-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2cc(C)cc(C)n2)nc2sccn12
InChIInChI=1S/C15H18N4S2/c1-4-16-9-12-14(18-15-19(12)5-6-20-15)21-13-8-10(2)7-11(3)17-13/h5-8,16H,4,9H2,1-3H3
InChIKeyCNUYSQZIBPIMSQ-UHFFFAOYSA-N
XLogP3.67
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 102926145) is N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(Sc2cc(C)cc(C)n2)nc2sccn12.
What is the InChIKey of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is CNUYSQZIBPIMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S2/c1-4-16-9-12-14(18-15-19(12)5-6-20-15)21-13-8-10(2)7-11(3)17-13/h5-8,16H,4,9H2,1-3H3.
What are the key properties of N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 318.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 102926145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).