N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C14H24N4S2 — CID 115986374

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCNCc1c(N(C)C(C)CSC)nc2sccn12
InChIInChI=1S/C14H24N4S2/c1-5-6-15-9-12-13(17(3)11(2)10-19-4)16-14-18(12)7-8-20-14/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyNTVPARHONFJNRW-UHFFFAOYSA-N
MW312.51 g/mol
LogP3.08
Rot. Bonds8

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 115986374) has the molecular formula C14H24N4S2 and a molecular weight of 312.51 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID115986374
Molecular FormulaC14H24N4S2
Molecular Weight312.51 g/mol
Exact Mass312.14
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCNCc1c(N(C)C(C)CSC)nc2sccn12
InChIInChI=1S/C14H24N4S2/c1-5-6-15-9-12-13(17(3)11(2)10-19-4)16-14-18(12)7-8-20-14/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyNTVPARHONFJNRW-UHFFFAOYSA-N
XLogP3.08
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359
N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43570377
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112666806
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol
CID 79390755
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986314
N-methyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43527744
N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63058948
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 115986374) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCCNCc1c(N(C)C(C)CSC)nc2sccn12.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is NTVPARHONFJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S2/c1-5-6-15-9-12-13(17(3)11(2)10-19-4)16-14-18(12)7-8-20-14/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 312.51 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 115986374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).