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

C12H15N7S2 — CID 103379888

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC(C)c2nncn2C)cs1
InChIInChI=1S/C12H15N7S2/c1-6(11-17-14-5-19(11)3)15-12-9(10(13)18-21-12)8-4-20-7(2)16-8/h4-6,15H,1-3H3,(H2,13,18)
InChIKeyZYQZSTACXKXACD-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.46
Rot. Bonds4

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

4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103379888) has the molecular formula C12H15N7S2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103379888
Molecular FormulaC12H15N7S2
Molecular Weight321.44 g/mol
Exact Mass321.08
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC(C)c2nncn2C)cs1
InChIInChI=1S/C12H15N7S2/c1-6(11-17-14-5-19(11)3)15-12-9(10(13)18-21-12)8-4-20-7(2)16-8/h4-6,15H,1-3H3,(H2,13,18)
InChIKeyZYQZSTACXKXACD-UHFFFAOYSA-N
XLogP2.46
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(4-methyl-1,3-thiazol-2-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103349109
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 79376415
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
CID 103384097

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103379888) is 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2NC(C)c2nncn2C)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is ZYQZSTACXKXACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S2/c1-6(11-17-14-5-19(11)3)15-12-9(10(13)18-21-12)8-4-20-7(2)16-8/h4-6,15H,1-3H3,(H2,13,18).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 321.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-5-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103379888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).