(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

C17H27N5S — CID 125135871

IUPAC(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nnc2n1CCCC2
InChIInChI=1S/C17H27N5S/c1-11(2)17-18-12(3)16(23-17)13(4)21(5)10-15-20-19-14-8-6-7-9-22(14)15/h11,13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyVPBNSASMTAQOLQ-ZDUSSCGKSA-N
MW333.51 g/mol
LogP3.70
Rot. Bonds5

About (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 125135871) has the molecular formula C17H27N5S and a molecular weight of 333.51 g/mol. Its IUPAC name is (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID125135871
Molecular FormulaC17H27N5S
Molecular Weight333.51 g/mol
Exact Mass333.20
IUPAC Name(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nnc2n1CCCC2
InChIInChI=1S/C17H27N5S/c1-11(2)17-18-12(3)16(23-17)13(4)21(5)10-15-20-19-14-8-6-7-9-22(14)15/h11,13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyVPBNSASMTAQOLQ-ZDUSSCGKSA-N
XLogP3.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine with MolForge

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 75373691
5-[[2-[4-(Cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 87052198
4-[5-(2-isopropyl-4-methyl-1,3-thiazol-5-yl)-3-methyl-1H-1,2,4-triazol-1-yl]-1-methylpiperidine
CID 72918262
(7S)-2-ethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 99821764
(7S)-2-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 99821814
2,4-dimethyl-5-{[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl}-1,3-thiazole
CID 165430343
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71873033
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 97067043
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 97067044
(8S)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
CID 89493202
(8R)-3-(2,5-dimethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
CID 121258220
2,5-dimethyl-4-(8-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ium-3-yl)-1,3-thiazole
CID 123560440

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 125135871) is (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nnc2n1CCCC2.
What is the InChIKey of (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is VPBNSASMTAQOLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5S/c1-11(2)17-18-12(3)16(23-17)13(4)21(5)10-15-20-19-14-8-6-7-9-22(14)15/h11,13H,6-10H2,1-5H3/t13-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
(1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 333.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 125135871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).