5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

C13H16N6S2 — CID 106107000

IUPAC5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NCCc2ccn(C)n2)n1
InChIInChI=1S/C13H16N6S2/c1-8-7-20-13(16-8)10-11(14)18-21-12(10)15-5-3-9-4-6-19(2)17-9/h4,6-7,15H,3,5H2,1-2H3,(H2,14,18)
InChIKeyRCSBRZFGEMXAMJ-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.55
Rot. Bonds5

About 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 106107000) has the molecular formula C13H16N6S2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID106107000
Molecular FormulaC13H16N6S2
Molecular Weight320.45 g/mol
Exact Mass320.09
IUPAC Name5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NCCc2ccn(C)n2)n1
InChIInChI=1S/C13H16N6S2/c1-8-7-20-13(16-8)10-11(14)18-21-12(10)15-5-3-9-4-6-19(2)17-9/h4,6-7,15H,3,5H2,1-2H3,(H2,14,18)
InChIKeyRCSBRZFGEMXAMJ-UHFFFAOYSA-N
XLogP2.55
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106105461
5-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]pentan-1-ol
CID 107324532
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349814
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
5-N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349513
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-prop-2-ynylsulfanylethyl)-1,2-thiazole-3,5-diamine
CID 106434248
5-N-[(4-methylmorpholin-2-yl)methyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348830
5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348980
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 106107000) is 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NCCc2ccn(C)n2)n1.
What is the InChIKey of 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is RCSBRZFGEMXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S2/c1-8-7-20-13(16-8)10-11(14)18-21-12(10)15-5-3-9-4-6-19(2)17-9/h4,6-7,15H,3,5H2,1-2H3,(H2,14,18).
What are the key properties of 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 320.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1-methylpyrazol-3-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106107000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).