5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine

C8H9N3S3 — CID 103384935

IUPAC5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
SMILESCSc1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C8H9N3S3/c1-4-10-5(3-13-4)6-7(9)11-14-8(6)12-2/h3H,1-2H3,(H2,9,11)
InChIKeyHQZMMCKAOQPQPO-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.88
Rot. Bonds2

About 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine

5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine (PubChem CID 103384935) has the molecular formula C8H9N3S3 and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
PubChem CID103384935
Molecular FormulaC8H9N3S3
Molecular Weight243.38 g/mol
Exact Mass243.00
IUPAC Name5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
SMILESCSc1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C8H9N3S3/c1-4-10-5(3-13-4)6-7(9)11-14-8(6)12-2/h3H,1-2H3,(H2,9,11)
InChIKeyHQZMMCKAOQPQPO-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
4-(2-methyl-1,3-thiazol-4-yl)-5-N,5-N-dipropyl-1,2-thiazole-3,5-diamine
CID 103381183
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103384525
5-N,5-N-dibutyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103381435
3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
CID 70299492
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421
4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-N-(2-methoxycyclopentyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379868
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine (CID 103384935) is 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine is CSc1snc(N)c1-c1csc(C)n1.
What is the InChIKey of 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
The InChIKey is HQZMMCKAOQPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S3/c1-4-10-5(3-13-4)6-7(9)11-14-8(6)12-2/h3H,1-2H3,(H2,9,11).
What are the key properties of 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine?
5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine has a molecular weight of 243.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103384935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).