1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine

C13H17N3S — CID 129474085

IUPAC1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNC[C@@H]2CCc3nccn3C2)c1
InChIInChI=1S/C13H17N3S/c1-2-12(17-7-1)9-14-8-11-3-4-13-15-5-6-16(13)10-11/h1-2,5-7,11,14H,3-4,8-10H2/t11-/m0/s1
InChIKeyLCNHZOQFRUTGOI-NSHDSACASA-N
MW247.37 g/mol
LogP2.30
Rot. Bonds4

About 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine

1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 129474085) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID129474085
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNC[C@@H]2CCc3nccn3C2)c1
InChIInChI=1S/C13H17N3S/c1-2-12(17-7-1)9-14-8-11-3-4-13-15-5-6-16(13)10-11/h1-2,5-7,11,14H,3-4,8-10H2/t11-/m0/s1
InChIKeyLCNHZOQFRUTGOI-NSHDSACASA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine with MolForge

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Related Compounds

1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474083
5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 128967292
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129473583
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129474044
1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3-(thiophen-3-ylmethyl)urea
CID 129473644
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-carboxamide
CID 129472100
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)propan-2-amine
CID 131134209
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122020581
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
(2R)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773661
1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
CID 128967815

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 129474085) is 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is c1csc(CNC[C@@H]2CCc3nccn3C2)c1.
What is the InChIKey of 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is LCNHZOQFRUTGOI-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-12(17-7-1)9-14-8-11-3-4-13-15-5-6-16(13)10-11/h1-2,5-7,11,14H,3-4,8-10H2/t11-/m0/s1.
What are the key properties of 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 129474085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).