1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

C14H23N3S2 — CID 115333706

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1cn2ccsc2n1
InChIInChI=1S/C14H23N3S2/c1-4-5-15-13(10-19-11(2)3)8-12-9-17-6-7-18-14(17)16-12/h6-7,9,11,13,15H,4-5,8,10H2,1-3H3
InChIKeyZMQPYBULPODIAA-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.45
Rot. Bonds8

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (PubChem CID 115333706) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
PubChem CID115333706
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)C)Cc1cn2ccsc2n1
InChIInChI=1S/C14H23N3S2/c1-4-5-15-13(10-19-11(2)3)8-12-9-17-6-7-18-14(17)16-12/h6-7,9,11,13,15H,4-5,8,10H2,1-3H3
InChIKeyZMQPYBULPODIAA-UHFFFAOYSA-N
XLogP3.45
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine
CID 113289225
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 115332398
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105023459
4-cyclopentyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-propylbutan-2-amine
CID 105023529
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine (CID 115333706) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC(C)C)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
The InChIKey is ZMQPYBULPODIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-4-5-15-13(10-19-11(2)3)8-12-9-17-6-7-18-14(17)16-12/h6-7,9,11,13,15H,4-5,8,10H2,1-3H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine has a molecular weight of 297.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 115333706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).