(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C16H25N5S — CID 95328357

IUPAC(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@@H](NCc1cnc(C(C)(C)C)s1)CC2
InChIInChI=1S/C16H25N5S/c1-5-13-19-14-7-6-11(10-21(14)20-13)17-8-12-9-18-15(22-12)16(2,3)4/h9,11,17H,5-8,10H2,1-4H3/t11-/m0/s1
InChIKeyNFJPFBAHIVYLCU-NSHDSACASA-N
MW319.48 g/mol
LogP2.70
Rot. Bonds4

About (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95328357) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95328357
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC Name(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@@H](NCc1cnc(C(C)(C)C)s1)CC2
InChIInChI=1S/C16H25N5S/c1-5-13-19-14-7-6-11(10-21(14)20-13)17-8-12-9-18-15(22-12)16(2,3)4/h9,11,17H,5-8,10H2,1-4H3/t11-/m0/s1
InChIKeyNFJPFBAHIVYLCU-NSHDSACASA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95610696
(6R)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95609048
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
(6S)-2-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95337424
N,N-diethyl-5-[[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-1,3-thiazol-2-amine
CID 95610713
(6R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95333899
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127535
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
(6S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95305594
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95328357) is (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)C[C@@H](NCc1cnc(C(C)(C)C)s1)CC2.
What is the InChIKey of (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is NFJPFBAHIVYLCU-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N5S/c1-5-13-19-14-7-6-11(10-21(14)20-13)17-8-12-9-18-15(22-12)16(2,3)4/h9,11,17H,5-8,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 319.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95328357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).