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

C10H17N3S2 — CID 103362286

IUPAC5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC(C)CC1CC1
InChIInChI=1S/C10H17N3S2/c1-6(5-7-3-4-7)12-10-8(14-2)9(11)13-15-10/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyZUTMWWJJNHGPSK-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.05
Rot. Bonds5

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

5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103362286) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103362286
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC(C)CC1CC1
InChIInChI=1S/C10H17N3S2/c1-6(5-7-3-4-7)12-10-8(14-2)9(11)13-15-10/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyZUTMWWJJNHGPSK-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-5-N-(1-cyclopropylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103362293
4-methylsulfanyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359986
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362276
4-methylsulfanyl-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
CID 114096898
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]ethanol
CID 103363776
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103363654
5-N-(1-ethylcyclobutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103365332
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359438
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103364006
5-N-[4-(dimethylamino)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360361

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103362286) is 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC(C)CC1CC1.
What is the InChIKey of 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZUTMWWJJNHGPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-6(5-7-3-4-7)12-10-8(14-2)9(11)13-15-10/h6-7,12H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 243.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).