5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine

C18H20N6OS — CID 68566675

IUPAC5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(C)c1-c1cnnc(NCc2nc3c(s2)CCNC3)n1
InChIInChI=1S/C18H20N6OS/c1-11-4-3-5-14(25-2)17(11)13-9-21-24-18(23-13)20-10-16-22-12-8-19-7-6-15(12)26-16/h3-5,9,19H,6-8,10H2,1-2H3,(H,20,23,24)
InChIKeyKDFSCGXDPYRVCX-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.57
Rot. Bonds5

About 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine

5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 68566675) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID68566675
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(C)c1-c1cnnc(NCc2nc3c(s2)CCNC3)n1
InChIInChI=1S/C18H20N6OS/c1-11-4-3-5-14(25-2)17(11)13-9-21-24-18(23-13)20-10-16-22-12-8-19-7-6-15(12)26-16/h3-5,9,19H,6-8,10H2,1-2H3,(H,20,23,24)
InChIKeyKDFSCGXDPYRVCX-UHFFFAOYSA-N
XLogP2.57
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 68563776
5-(2,6-dimethylphenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 68565478
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 68562270
2-[[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetic acid
CID 70679459
N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 90864949
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 71573956
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 42198281
5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
CID 26330376
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
2-amino-N-[4-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]-3,5-dimethylphenyl]acetamide
CID 68566832
6-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 71574011

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine (CID 68566675) is 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine is COc1cccc(C)c1-c1cnnc(NCc2nc3c(s2)CCNC3)n1.
What is the InChIKey of 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is KDFSCGXDPYRVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-11-4-3-5-14(25-2)17(11)13-9-21-24-18(23-13)20-10-16-22-12-8-19-7-6-15(12)26-16/h3-5,9,19H,6-8,10H2,1-2H3,(H,20,23,24).
What are the key properties of 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 368.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 68566675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).