4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine

C8H12N6OS — CID 103364283

IUPAC4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCc1ncn[nH]1
InChIInChI=1S/C8H12N6OS/c1-2-15-6-7(9)14-16-8(6)10-3-5-11-4-12-13-5/h4,10H,2-3H2,1H3,(H2,9,14)(H,11,12,13)
InChIKeyFWDMQHYEDYUNDD-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.85
Rot. Bonds5

About 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364283) has the molecular formula C8H12N6OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103364283
Molecular FormulaC8H12N6OS
Molecular Weight240.29 g/mol
Exact Mass240.08
IUPAC Name4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCc1ncn[nH]1
InChIInChI=1S/C8H12N6OS/c1-2-15-6-7(9)14-16-8(6)10-3-5-11-4-12-13-5/h4,10H,2-3H2,1H3,(H2,9,14)(H,11,12,13)
InChIKeyFWDMQHYEDYUNDD-UHFFFAOYSA-N
XLogP0.85
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103383188
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
CID 103360878
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103365012
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364736
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359486
4-ethoxy-5-N-octan-2-yl-1,2-thiazole-3,5-diamine
CID 103360011
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103359367

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103364283) is 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCc1ncn[nH]1.
What is the InChIKey of 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is FWDMQHYEDYUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6OS/c1-2-15-6-7(9)14-16-8(6)10-3-5-11-4-12-13-5/h4,10H,2-3H2,1H3,(H2,9,14)(H,11,12,13).
What are the key properties of 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 240.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).