5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H19N3S — CID 113495972

IUPAC5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NC(C)c2cccnc2)S1
InChIInChI=1S/C13H19N3S/c1-3-5-12-9-15-13(17-12)16-10(2)11-6-4-7-14-8-11/h4,6-8,10,12H,3,5,9H2,1-2H3,(H,15,16)
InChIKeyGWEVSKROWNAHKD-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.00
Rot. Bonds4

About 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113495972) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113495972
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NC(C)c2cccnc2)S1
InChIInChI=1S/C13H19N3S/c1-3-5-12-9-15-13(17-12)16-10(2)11-6-4-7-14-8-11/h4,6-8,10,12H,3,5,9H2,1-2H3,(H,15,16)
InChIKeyGWEVSKROWNAHKD-UHFFFAOYSA-N
XLogP3.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114701228
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
N-(1-pyridin-3-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508337
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
CID 81292604
N-(1,4-dithian-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 115886460
2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80960493

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 113495972) is 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NC(C)c2cccnc2)S1.
What is the InChIKey of 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GWEVSKROWNAHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-5-12-9-15-13(17-12)16-10(2)11-6-4-7-14-8-11/h4,6-8,10,12H,3,5,9H2,1-2H3,(H,15,16).
What are the key properties of 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113495972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).