5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C11H21N3S — CID 61477681

IUPAC5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CN1CCCC1)NC1=NCC(C)S1
InChIInChI=1S/C11H21N3S/c1-9(8-14-5-3-4-6-14)13-11-12-7-10(2)15-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyZUPXVEGPVKJFMM-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.55
Rot. Bonds3

About 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61477681) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61477681
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CN1CCCC1)NC1=NCC(C)S1
InChIInChI=1S/C11H21N3S/c1-9(8-14-5-3-4-6-14)13-11-12-7-10(2)15-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyZUPXVEGPVKJFMM-UHFFFAOYSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
CID 17365713
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13018884
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
CID 13018885
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylbutan-1-amine
CID 20213259
N-pyrrolidin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 57855145
(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine
CID 67321336
2,3,5,6-Tetrahydroimidazo[2,1-b][1,3]thiazol-3-ylmethanamine
CID 68200001
N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 129059236
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169004985
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169005015

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61477681) is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(CN1CCCC1)NC1=NCC(C)S1.
What is the InChIKey of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZUPXVEGPVKJFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(8-14-5-3-4-6-14)13-11-12-7-10(2)15-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61477681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).