5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C9H18N4S2 — CID 103359270

IUPAC5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(C)N(C)C
InChIInChI=1S/C9H18N4S2/c1-6(13(2)3)5-11-9-7(14-4)8(10)12-15-9/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKeyWOCBALVFKDXXCF-UHFFFAOYSA-N
MW246.41 g/mol
LogP1.81
Rot. Bonds5

About 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359270) has the molecular formula C9H18N4S2 and a molecular weight of 246.41 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359270
Molecular FormulaC9H18N4S2
Molecular Weight246.41 g/mol
Exact Mass246.10
IUPAC Name5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(C)N(C)C
InChIInChI=1S/C9H18N4S2/c1-6(13(2)3)5-11-9-7(14-4)8(10)12-15-9/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKeyWOCBALVFKDXXCF-UHFFFAOYSA-N
XLogP1.81
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfanyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360691
4-methylsulfanyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361142
4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363593
5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364760
4-methylsulfanyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364944
4-methylsulfanyl-5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942284
4-methylsulfanyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2-thiazole-3,5-diamine
CID 106434256
5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 127011523
4-cyclopropylsulfonyl-5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103348849
4-cyclopropylsulfonyl-5-N-[1-(diethylamino)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103349019
4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103349126
4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103349128

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359270) is 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC(C)N(C)C.
What is the InChIKey of 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is WOCBALVFKDXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-6(13(2)3)5-11-9-7(14-4)8(10)12-15-9/h6,11H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 246.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).