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

C7H10N6S — CID 66275798

IUPAC3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ncc(CNc2n[nH]c(N)n2)s1
InChIInChI=1S/C7H10N6S/c1-4-9-2-5(14-4)3-10-7-11-6(8)12-13-7/h2H,3H2,1H3,(H4,8,10,11,12,13)
InChIKeyRIOFROKGTPFQDW-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.76
Rot. Bonds3

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

3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275798) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275798
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ncc(CNc2n[nH]c(N)n2)s1
InChIInChI=1S/C7H10N6S/c1-4-9-2-5(14-4)3-10-7-11-6(8)12-13-7/h2H,3H2,1H3,(H4,8,10,11,12,13)
InChIKeyRIOFROKGTPFQDW-UHFFFAOYSA-N
XLogP0.76
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 112647291
3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
CID 13045202
1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115685711
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79632909
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524682
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 66275798) is 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is Cc1ncc(CNc2n[nH]c(N)n2)s1.
What is the InChIKey of 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is RIOFROKGTPFQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-4-9-2-5(14-4)3-10-7-11-6(8)12-13-7/h2H,3H2,1H3,(H4,8,10,11,12,13).
What are the key properties of 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 210.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).