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

C11H15N3O2S3 — CID 106015690

IUPAC5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(CNc2snc(N)c2S(C)(=O)=O)s1
InChIInChI=1S/C11H15N3O2S3/c1-3-7-4-5-8(17-7)6-13-11-9(19(2,15)16)10(12)14-18-11/h4-5,13H,3,6H2,1-2H3,(H2,12,14)
InChIKeyPTRXFYSEHBRXGF-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.36
Rot. Bonds5

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

5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 106015690) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID106015690
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC Name5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(CNc2snc(N)c2S(C)(=O)=O)s1
InChIInChI=1S/C11H15N3O2S3/c1-3-7-4-5-8(17-7)6-13-11-9(19(2,15)16)10(12)14-18-11/h4-5,13H,3,6H2,1-2H3,(H2,12,14)
InChIKeyPTRXFYSEHBRXGF-UHFFFAOYSA-N
XLogP2.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378499
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378214
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
4-N-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 114137465
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382745
[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103378959
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 106015690) is 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CCc1ccc(CNc2snc(N)c2S(C)(=O)=O)s1.
What is the InChIKey of 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is PTRXFYSEHBRXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-3-7-4-5-8(17-7)6-13-11-9(19(2,15)16)10(12)14-18-11/h4-5,13H,3,6H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 317.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106015690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).