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

C13H19N3S — CID 114956905

IUPACN-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2cnccc2C)S1
InChIInChI=1S/C13H19N3S/c1-3-4-12-9-16-13(17-12)15-8-11-7-14-6-5-10(11)2/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyQSDHUZYZXSOYBA-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.75
Rot. Bonds4

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

N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114956905) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114956905
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCc2cnccc2C)S1
InChIInChI=1S/C13H19N3S/c1-3-4-12-9-16-13(17-12)15-8-11-7-14-6-5-10(11)2/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,16)
InChIKeyQSDHUZYZXSOYBA-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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
N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956895
N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956902
5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154847
5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113495972
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107585929
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
N-(2,3-dihydro-1H-inden-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107853220
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 114956905) is N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCc2cnccc2C)S1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QSDHUZYZXSOYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-4-12-9-16-13(17-12)15-8-11-7-14-6-5-10(11)2/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114956905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).