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

C12H14N6S2 — CID 106218870

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C12H14N6S2/c1-6-5-19-11(16-6)9-10(13)18-20-12(9)17-7(2)8-3-14-15-4-8/h3-5,7,17H,1-2H3,(H2,13,18)(H,14,15)
InChIKeySWESZZVIZFRFGA-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.05
Rot. Bonds4

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

4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 106218870) has the molecular formula C12H14N6S2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID106218870
Molecular FormulaC12H14N6S2
Molecular Weight306.42 g/mol
Exact Mass306.07
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC(C)c2cn[nH]c2)n1
InChIInChI=1S/C12H14N6S2/c1-6-5-19-11(16-6)9-10(13)18-20-12(9)17-7(2)8-3-14-15-4-8/h3-5,7,17H,1-2H3,(H2,13,18)(H,14,15)
InChIKeySWESZZVIZFRFGA-UHFFFAOYSA-N
XLogP3.05
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 106218870) is 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NC(C)c2cn[nH]c2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is SWESZZVIZFRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S2/c1-6-5-19-11(16-6)9-10(13)18-20-12(9)17-7(2)8-3-14-15-4-8/h3-5,7,17H,1-2H3,(H2,13,18)(H,14,15).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 306.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106218870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).