1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine

C16H27N3OS — CID 116725116

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cn2ccsc2n1)C(OC)C(C)(C)C
InChIInChI=1S/C16H27N3OS/c1-6-7-17-13(14(20-5)16(2,3)4)10-12-11-19-8-9-21-15(19)18-12/h8-9,11,13-14,17H,6-7,10H2,1-5H3
InChIKeyDZBVCKFMPORSDU-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.37
Rot. Bonds7

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 116725116) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID116725116
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cn2ccsc2n1)C(OC)C(C)(C)C
InChIInChI=1S/C16H27N3OS/c1-6-7-17-13(14(20-5)16(2,3)4)10-12-11-19-8-9-21-15(19)18-12/h8-9,11,13-14,17H,6-7,10H2,1-5H3
InChIKeyDZBVCKFMPORSDU-UHFFFAOYSA-N
XLogP3.37
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.37
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-methylsulfonyl-N-propylbutan-2-amine
CID 105023459
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 115332398
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethyl-N-propylhexan-3-amine
CID 115334731
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-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656
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
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115333944
N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxypentan-2-amine
CID 116761301

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine (CID 116725116) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(Cc1cn2ccsc2n1)C(OC)C(C)(C)C.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is DZBVCKFMPORSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-6-7-17-13(14(20-5)16(2,3)4)10-12-11-19-8-9-21-15(19)18-12/h8-9,11,13-14,17H,6-7,10H2,1-5H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 309.48 g/mol, XLogP of 3.37, 7 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-methoxy-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 116725116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).