1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine

C13H21N3S2 — CID 105174072

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)Cc1cn2ccsc2n1
InChIInChI=1S/C13H21N3S2/c1-3-5-14-11(4-7-17-2)9-12-10-16-6-8-18-13(16)15-12/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyCYUPHDXHTUACKJ-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.06
Rot. Bonds8

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine (PubChem CID 105174072) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
PubChem CID105174072
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)Cc1cn2ccsc2n1
InChIInChI=1S/C13H21N3S2/c1-3-5-14-11(4-7-17-2)9-12-10-16-6-8-18-13(16)15-12/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyCYUPHDXHTUACKJ-UHFFFAOYSA-N
XLogP3.06
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656
4-cyclopentyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-propylbutan-2-amine
CID 105023529
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
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
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105023459
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine (CID 105174072) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine is CCCNC(CCSC)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine?
The InChIKey is CYUPHDXHTUACKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-3-5-14-11(4-7-17-2)9-12-10-16-6-8-18-13(16)15-12/h6,8,10-11,14H,3-5,7,9H2,1-2H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine has a molecular weight of 283.47 g/mol, XLogP of 3.06, 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-4-methylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 105174072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).