N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine

C13H21N3S — CID 83142775

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cn2ccsc2n1)C(C)(C)C
InChIInChI=1S/C13H21N3S/c1-10(13(2,3)4)7-14-8-11-9-16-5-6-17-12(16)15-11/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyFHRHIXOBBLNGGE-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.17
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 83142775) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
PubChem CID83142775
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
SMILESCC(CNCc1cn2ccsc2n1)C(C)(C)C
InChIInChI=1S/C13H21N3S/c1-10(13(2,3)4)7-14-8-11-9-16-5-6-17-12(16)15-11/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyFHRHIXOBBLNGGE-UHFFFAOYSA-N
XLogP3.17
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115331632
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464
methyl 2-chloro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)propanoate
CID 103491939
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
CID 106160046

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine (CID 83142775) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine is CC(CNCc1cn2ccsc2n1)C(C)(C)C.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is FHRHIXOBBLNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(13(2,3)4)7-14-8-11-9-16-5-6-17-12(16)15-11/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 251.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83142775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).