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

C16H24N4S — CID 71929200

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCC(C)(C)c1ncc(CNCC2CCCn3ccnc32)s1
InChIInChI=1S/C16H24N4S/c1-16(2,3)15-19-11-13(21-15)10-17-9-12-5-4-7-20-8-6-18-14(12)20/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3
InChIKeyQYWKORWPPHKTSA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.30
Rot. Bonds4

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

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (PubChem CID 71929200) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
PubChem CID71929200
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
SMILESCC(C)(C)c1ncc(CNCC2CCCn3ccnc32)s1
InChIInChI=1S/C16H24N4S/c1-16(2,3)15-19-11-13(21-15)10-17-9-12-5-4-7-20-8-6-18-14(12)20/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3
InChIKeyQYWKORWPPHKTSA-UHFFFAOYSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine (CID 71929200) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is CC(C)(C)c1ncc(CNCC2CCCn3ccnc32)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
The InChIKey is QYWKORWPPHKTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2,3)15-19-11-13(21-15)10-17-9-12-5-4-7-20-8-6-18-14(12)20/h6,8,11-12,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine has a molecular weight of 304.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 71929200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).