1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C17H26N4S — CID 97002923

IUPAC1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21
InChIInChI=1S/C17H26N4S/c1-12-14(22-11-19-12)9-18-8-13-6-5-7-21-10-15(17(2,3)4)20-16(13)21/h10-11,13,18H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyLBQUWODDPPEOQB-CYBMUJFWSA-N
MW318.49 g/mol
LogP3.61
Rot. Bonds4

About 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 97002923) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID97002923
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21
InChIInChI=1S/C17H26N4S/c1-12-14(22-11-19-12)9-18-8-13-6-5-7-21-10-15(17(2,3)4)20-16(13)21/h10-11,13,18H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyLBQUWODDPPEOQB-CYBMUJFWSA-N
XLogP3.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 97002923) is 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21.
What is the InChIKey of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is LBQUWODDPPEOQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4S/c1-12-14(22-11-19-12)9-18-8-13-6-5-7-21-10-15(17(2,3)4)20-16(13)21/h10-11,13,18H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 318.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 97002923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).