[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine

C19H23N3S — CID 39197114

IUPAC[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
SMILESCC(C)c1ccc(-c2nc3sc4c(n3c2CN)CCCC4)cc1
InChIInChI=1S/C19H23N3S/c1-12(2)13-7-9-14(10-8-13)18-16(11-20)22-15-5-3-4-6-17(15)23-19(22)21-18/h7-10,12H,3-6,11,20H2,1-2H3
InChIKeyDLZGZONYTYRIBK-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.52
Rot. Bonds3

About [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine

[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine (PubChem CID 39197114) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
PubChem CID39197114
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
SMILESCC(C)c1ccc(-c2nc3sc4c(n3c2CN)CCCC4)cc1
InChIInChI=1S/C19H23N3S/c1-12(2)13-7-9-14(10-8-13)18-16(11-20)22-15-5-3-4-6-17(15)23-19(22)21-18/h7-10,12H,3-6,11,20H2,1-2H3
InChIKeyDLZGZONYTYRIBK-UHFFFAOYSA-N
XLogP4.52
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197108
2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83092009
2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211188
2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
CID 82062759
10-(4-ethoxyphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-amine
CID 82068875
2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine
CID 82062761
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211194
10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 10829218
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
2-[[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]methyl]-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one
CID 8773980
phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
CID 5179041

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The IUPAC name of [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine (CID 39197114) is [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine.
What is the SMILES notation for [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The canonical SMILES for [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine is CC(C)c1ccc(-c2nc3sc4c(n3c2CN)CCCC4)cc1.
What is the InChIKey of [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The InChIKey is DLZGZONYTYRIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-12(2)13-7-9-14(10-8-13)18-16(11-20)22-15-5-3-4-6-17(15)23-19(22)21-18/h7-10,12H,3-6,11,20H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine has a molecular weight of 325.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine is sourced from PubChem (CID 39197114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).