4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine

C10H13N3S3 — CID 103359997

IUPAC4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCc1ccsc1
InChIInChI=1S/C10H13N3S3/c1-14-8-9(11)13-16-10(8)12-4-2-7-3-5-15-6-7/h3,5-6,12H,2,4H2,1H3,(H2,11,13)
InChIKeyRDGFLLGNDQGZFT-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.16
Rot. Bonds5

About 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine

4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359997) has the molecular formula C10H13N3S3 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103359997
Molecular FormulaC10H13N3S3
Molecular Weight271.44 g/mol
Exact Mass271.03
IUPAC Name4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCc1ccsc1
InChIInChI=1S/C10H13N3S3/c1-14-8-9(11)13-16-10(8)12-4-2-7-3-5-15-6-7/h3,5-6,12H,2,4H2,1H3,(H2,11,13)
InChIKeyRDGFLLGNDQGZFT-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfanyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103361244
4-methyl-5-N-(thiophen-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361186
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361
6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 106972720
5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362276
2-[2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242108
5-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103366044
2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80801144
5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359706
6-propoxy-2-N-(2-thiophen-3-ylethyl)pyridine-2,5-diamine
CID 61474843
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364090
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine (CID 103359997) is 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCCc1ccsc1.
What is the InChIKey of 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RDGFLLGNDQGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S3/c1-14-8-9(11)13-16-10(8)12-4-2-7-3-5-15-6-7/h3,5-6,12H,2,4H2,1H3,(H2,11,13).
What are the key properties of 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 271.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-N-(2-thiophen-3-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).