5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine

C11H15N3S — CID 935285

IUPAC5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(NCc2cccnc2)S1
InChIInChI=1S/C11H15N3S/c1-11(2)8-14-10(15-11)13-7-9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyIFYLIJCNTCBFLV-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.05
Rot. Bonds2

About 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine

5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine (PubChem CID 935285) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine
PubChem CID935285
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(NCc2cccnc2)S1
InChIInChI=1S/C11H15N3S/c1-11(2)8-14-10(15-11)13-7-9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyIFYLIJCNTCBFLV-UHFFFAOYSA-N
XLogP2.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rivanicline
CID 5310967
3-Pyridinemethanamine
CID 31018
Thionicotinamide
CID 737155
N-Methylpyridine-4-methylamine
CID 81436
Dimethyl-pyridin-3-ylmethyl-amine
CID 7330459
3-(Methylaminomethyl)pyridine
CID 88393
Pyridine, 3-((methylthio)methyl)-
CID 3053474
3-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 238079
4-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 11159387
Propanenitrile, 3-((3-pyridinylmethyl)amino)-
CID 118510
1-(Pyridin-3-ylmethyl)thiourea
CID 2826565
Methyl[3-(pyridin-3-yl)prop-2-yn-1-yl]amine
CID 10510985

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine?
The IUPAC name of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine (CID 935285) is 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine is CC1(C)CN=C(NCc2cccnc2)S1.
What is the InChIKey of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine?
The InChIKey is IFYLIJCNTCBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-11(2)8-14-10(15-11)13-7-9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine?
5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(pyridin-3-ylmethyl)-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).