N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C12H17N3S — CID 107585929

IUPACN-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(Nc2cncc(C)c2)S1
InChIInChI=1S/C12H17N3S/c1-3-4-11-8-14-12(16-11)15-10-5-9(2)6-13-7-10/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyHNGAEJBKMOOEFG-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.07
Rot. Bonds3

About N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107585929) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107585929
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(Nc2cncc(C)c2)S1
InChIInChI=1S/C12H17N3S/c1-3-4-11-8-14-12(16-11)15-10-5-9(2)6-13-7-10/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyHNGAEJBKMOOEFG-UHFFFAOYSA-N
XLogP3.07
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(5-methyl-3-pyridinyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107585935
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107593097
N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956905
N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114701228
5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113495972
N-(2,3-dihydro-1H-inden-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107853220
N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496091
N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114943294
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496086
N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496008
N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496001
5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492467

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107585929) is N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(Nc2cncc(C)c2)S1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HNGAEJBKMOOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-4-11-8-14-12(16-11)15-10-5-9(2)6-13-7-10/h5-7,11H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).