5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H13N3S — CID 2999326

IUPAC5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2ccncc2)S1
InChIInChI=1S/C10H13N3S/c1-8-6-12-10(14-8)13-7-9-2-4-11-5-3-9/h2-5,8H,6-7H2,1H3,(H,12,13)
InChIKeyCRDIPTGKMXNOKB-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.66
Rot. Bonds2

About 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2999326) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2999326
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2ccncc2)S1
InChIInChI=1S/C10H13N3S/c1-8-6-12-10(14-8)13-7-9-2-4-11-5-3-9/h2-5,8H,6-7H2,1H3,(H,12,13)
InChIKeyCRDIPTGKMXNOKB-UHFFFAOYSA-N
XLogP1.66
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyridinemethanamine
CID 77317
N-Methylpyridine-4-methylamine
CID 81436
Pyridine, 3-((methylthio)methyl)-
CID 3053474
Methyl[1-(pyridin-4-yl)ethyl]amine
CID 16776491
3-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 238079
4-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 11159387
4-(4-pyridyl)-3H-thiazole-2-thione
CID 22392870
N-Ethylpyridine-4-methylamine
CID 96681
Methyl[2-(pyridin-4-yl)ethyl]amine
CID 143276
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyridine
CID 417331
2-Ethyl-1-pyridin-3-yl-isothiourea; hydrochloride
CID 10631254
2-Ethyl-1-pyridin-4-yl-isothiourea; hydrofluoride
CID 10631255

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2999326) is 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCc2ccncc2)S1.
What is the InChIKey of 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CRDIPTGKMXNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-6-12-10(14-8)13-7-9-2-4-11-5-3-9/h2-5,8H,6-7H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 207.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2999326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).