5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine

C14H16N6S — CID 79536590

IUPAC5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine
SMILESCC(C)c1c(N)nnn1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H16N6S/c1-9(2)12-13(15)18-19-20(12)7-10-8-21-14(17-10)11-5-3-4-6-16-11/h3-6,8-9H,7,15H2,1-2H3
InChIKeyMRGFZMIRMBVZQD-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.55
Rot. Bonds4

About 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine

5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine (PubChem CID 79536590) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine
PubChem CID79536590
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine
SMILESCC(C)c1c(N)nnn1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H16N6S/c1-9(2)12-13(15)18-19-20(12)7-10-8-21-14(17-10)11-5-3-4-6-16-11/h3-6,8-9H,7,15H2,1-2H3
InChIKeyMRGFZMIRMBVZQD-UHFFFAOYSA-N
XLogP2.55
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
CID 66215841
3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221374
1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 146130029
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
3-propan-2-yl-6-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 39350084
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542929
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
CID 25311503
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 126792905
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine (CID 79536590) is 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine is CC(C)c1c(N)nnn1Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
The InChIKey is MRGFZMIRMBVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-9(2)12-13(15)18-19-20(12)7-10-8-21-14(17-10)11-5-3-4-6-16-11/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine?
5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine has a molecular weight of 300.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79536590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).