1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol

C11H19N3OS2 — CID 112748849

IUPAC1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCSc1c(N)nsc1N1CCCC1CC(C)O
InChIInChI=1S/C11H19N3OS2/c1-7(15)6-8-4-3-5-14(8)11-9(16-2)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13)
InChIKeyCHRXDVHILOKGON-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.19
Rot. Bonds4

About 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol

1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 112748849) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID112748849
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCSc1c(N)nsc1N1CCCC1CC(C)O
InChIInChI=1S/C11H19N3OS2/c1-7(15)6-8-4-3-5-14(8)11-9(16-2)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13)
InChIKeyCHRXDVHILOKGON-UHFFFAOYSA-N
XLogP2.19
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 112747946
5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
CID 103362636
2-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103364571
[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103361589
4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362097
2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103365910
1-[3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103421518
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
CID 112747815
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
methyl 3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carboxylate
CID 103421533
5-N-(1-cyclopropylpropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103362286
(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 124850219

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol (CID 112748849) is 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol is CSc1c(N)nsc1N1CCCC1CC(C)O.
What is the InChIKey of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is CHRXDVHILOKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-7(15)6-8-4-3-5-14(8)11-9(16-2)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 273.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 112748849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).