(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

C15H21N5S — CID 99821814

IUPAC(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
SMILESCc1nc2c(s1)[C@@H](NCc1nnc3n1CCCC3)CCC2
InChIInChI=1S/C15H21N5S/c1-10-17-12-6-4-5-11(15(12)21-10)16-9-14-19-18-13-7-2-3-8-20(13)14/h11,16H,2-9H2,1H3/t11-/m0/s1
InChIKeySUFYUYNWEQSGNC-NSHDSACASA-N
MW303.44 g/mol
LogP2.55
Rot. Bonds3

About (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

(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 (PubChem CID 99821814) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID99821814
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name(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
SMILESCc1nc2c(s1)[C@@H](NCc1nnc3n1CCCC3)CCC2
InChIInChI=1S/C15H21N5S/c1-10-17-12-6-4-5-11(15(12)21-10)16-9-14-19-18-13-7-2-3-8-20(13)14/h11,16H,2-9H2,1H3/t11-/m0/s1
InChIKeySUFYUYNWEQSGNC-NSHDSACASA-N
XLogP2.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc2c(s1)[C@@H](NCc1nnc3n1CCCC3)CCC2.
What is the InChIKey of (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?
The InChIKey is SUFYUYNWEQSGNC-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-17-12-6-4-5-11(15(12)21-10)16-9-14-19-18-13-7-2-3-8-20(13)14/h11,16H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 303.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 99821814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).