4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine

C14H19N7S — CID 72841713

IUPAC4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCCn1cc(-c2cn(CCCc3csc(N)n3)nn2)c(C)n1
InChIInChI=1S/C14H19N7S/c1-3-20-7-12(10(2)18-20)13-8-21(19-17-13)6-4-5-11-9-22-14(15)16-11/h7-9H,3-6H2,1-2H3,(H2,15,16)
InChIKeySCHYWYYRZQSFCI-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.14
Rot. Bonds6

About 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine

4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 72841713) has the molecular formula C14H19N7S and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
PubChem CID72841713
Molecular FormulaC14H19N7S
Molecular Weight317.42 g/mol
Exact Mass317.14
IUPAC Name4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
SMILESCCn1cc(-c2cn(CCCc3csc(N)n3)nn2)c(C)n1
InChIInChI=1S/C14H19N7S/c1-3-20-7-12(10(2)18-20)13-8-21(19-17-13)6-4-5-11-9-22-14(15)16-11/h7-9H,3-6H2,1-2H3,(H2,15,16)
InChIKeySCHYWYYRZQSFCI-UHFFFAOYSA-N
XLogP2.14
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485376
4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
CID 72867929
2-methyl-4-[[4-(3-methyl-1-prop-2-enylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole
CID 72854369
4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
CID 115825958
N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide
CID 72848435
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-butyl-1,3-thiazol-2-amine;toluene
CID 174630641
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498363
3-(1-ethyltriazol-4-yl)pyridine-2,6-diamine
CID 58399280
2-[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]ethanamine
CID 19621340
4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
CID 62786742

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine (CID 72841713) is 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine is CCn1cc(-c2cn(CCCc3csc(N)n3)nn2)c(C)n1.
What is the InChIKey of 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is SCHYWYYRZQSFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7S/c1-3-20-7-12(10(2)18-20)13-8-21(19-17-13)6-4-5-11-9-22-14(15)16-11/h7-9H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 317.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72841713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).