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

C13H23N3S — CID 55170832

IUPAC5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CN1CCCC1)NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H23N3S/c1-10(9-16-6-2-3-7-16)15-13-14-8-12(17-13)11-4-5-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyNZXMUEOVBDNBIX-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.94
Rot. Bonds4

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

5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 55170832) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID55170832
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CN1CCCC1)NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H23N3S/c1-10(9-16-6-2-3-7-16)15-13-14-8-12(17-13)11-4-5-11/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyNZXMUEOVBDNBIX-UHFFFAOYSA-N
XLogP1.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 57162043
4-[(1R,3R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-N-methyl-1,3-thiazolidin-2-imine
CID 136453460
N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine
CID 136628223
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole
CID 169005139
5-(2-Pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169005315
3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
CID 175466737
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148982
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43148983
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439997
N-(1-cyclopropylethyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43533626
N-(1-cyclopropylethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43533627

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 55170832) is 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(CN1CCCC1)NC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NZXMUEOVBDNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(9-16-6-2-3-7-16)15-13-14-8-12(17-13)11-4-5-11/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 55170832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).