N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C13H25N3S — CID 113495978

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC2CCN(CC)C2)S1
InChIInChI=1S/C13H25N3S/c1-3-5-12-9-15-13(17-12)14-8-11-6-7-16(4-2)10-11/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyNJMMDZQEYORUKG-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113495978) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113495978
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC2CCN(CC)C2)S1
InChIInChI=1S/C13H25N3S/c1-3-5-12-9-15-13(17-12)14-8-11-6-7-16(4-2)10-11/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyNJMMDZQEYORUKG-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154249
N-[(1-ethylpyrrolidin-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361289
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002
5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533114
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60856853
N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496091
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113495978) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCC2CCN(CC)C2)S1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NJMMDZQEYORUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-3-5-12-9-15-13(17-12)14-8-11-6-7-16(4-2)10-11/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113495978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).