4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine

C11H20N4S2 — CID 103359986

IUPAC4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC(C)CN1CCCC1
InChIInChI=1S/C11H20N4S2/c1-8(7-15-5-3-4-6-15)13-11-9(16-2)10(12)14-17-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyLOFKCFJBKXHXGR-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.34
Rot. Bonds5

About 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine

4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359986) has the molecular formula C11H20N4S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359986
Molecular FormulaC11H20N4S2
Molecular Weight272.44 g/mol
Exact Mass272.11
IUPAC Name4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC(C)CN1CCCC1
InChIInChI=1S/C11H20N4S2/c1-8(7-15-5-3-4-6-15)13-11-9(16-2)10(12)14-17-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyLOFKCFJBKXHXGR-UHFFFAOYSA-N
XLogP2.34
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360050
5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362286
4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103379011
4-ethylsulfonyl-5-N-(1-piperidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103360047
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
3-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)-1,2-thiazole-4-carboxylic acid
CID 79402857
5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362276
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359438
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276551
methyl 3-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103380113
5-N-(1-ethylcyclobutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103365332
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine (CID 103359986) is 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC(C)CN1CCCC1.
What is the InChIKey of 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is LOFKCFJBKXHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2/c1-8(7-15-5-3-4-6-15)13-11-9(16-2)10(12)14-17-11/h8,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 272.44 g/mol, XLogP of 2.34, 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-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).