5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C15H29N3S — CID 107154249

IUPAC5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC2CCN(C(C)C)C2)S1
InChIInChI=1S/C15H29N3S/c1-11(2)7-14-9-17-15(19-14)16-8-13-5-6-18(10-13)12(3)4/h11-14H,5-10H2,1-4H3,(H,16,17)
InChIKeyXYLQLCFLRUPNCK-UHFFFAOYSA-N
MW283.49 g/mol
LogP2.82
Rot. Bonds5

About 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154249) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154249
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC Name5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(NCC2CCN(C(C)C)C2)S1
InChIInChI=1S/C15H29N3S/c1-11(2)7-14-9-17-15(19-14)16-8-13-5-6-18(10-13)12(3)4/h11-14H,5-10H2,1-4H3,(H,16,17)
InChIKeyXYLQLCFLRUPNCK-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113495978
1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
CID 106252132
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601208
1-N,1-N-dimethyl-2-N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]propane-1,2-diamine
CID 107154655
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112799
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
CID 104534038
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112798
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]cyclopent-2-en-1-one
CID 104788342

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154249) is 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(NCC2CCN(C(C)C)C2)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XYLQLCFLRUPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-11(2)7-14-9-17-15(19-14)16-8-13-5-6-18(10-13)12(3)4/h11-14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).