5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C10H14N4O3S2 — CID 103378174

IUPAC5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCc1noc(C)c1CNc1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14N4O3S2/c1-5-7(6(2)17-13-5)4-12-10-8(19(3,15)16)9(11)14-18-10/h12H,4H2,1-3H3,(H2,11,14)
InChIKeyXKXQYPAZFVZQMT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.35
Rot. Bonds4

About 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103378174) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103378174
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCc1noc(C)c1CNc1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H14N4O3S2/c1-5-7(6(2)17-13-5)4-12-10-8(19(3,15)16)9(11)14-18-10/h12H,4H2,1-3H3,(H2,11,14)
InChIKeyXKXQYPAZFVZQMT-UHFFFAOYSA-N
XLogP1.35
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378181
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402383
5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(methylsulfonimidoyl)methanamine
CID 164644358
5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380643
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939
5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 114102738
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684742
3-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79884887

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103378174) is 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is Cc1noc(C)c1CNc1snc(N)c1S(C)(=O)=O.
What is the InChIKey of 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is XKXQYPAZFVZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-5-7(6(2)17-13-5)4-12-10-8(19(3,15)16)9(11)14-18-10/h12H,4H2,1-3H3,(H2,11,14).
What are the key properties of 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 302.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).