N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine

C13H11N5S — CID 107588206

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
SMILESc1ccc(-c2nc(CNc3cncnc3)cs2)nc1
InChIInChI=1S/C13H11N5S/c1-2-4-16-12(3-1)13-18-11(8-19-13)7-17-10-5-14-9-15-6-10/h1-6,8-9,17H,7H2
InChIKeyOEJYYIKPKFCFDX-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.61
Rot. Bonds4

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine (PubChem CID 107588206) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
PubChem CID107588206
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
SMILESc1ccc(-c2nc(CNc3cncnc3)cs2)nc1
InChIInChI=1S/C13H11N5S/c1-2-4-16-12(3-1)13-18-11(8-19-13)7-17-10-5-14-9-15-6-10/h1-6,8-9,17H,7H2
InChIKeyOEJYYIKPKFCFDX-UHFFFAOYSA-N
XLogP2.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 75385512
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 107598427
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-7H-purin-6-amine
CID 108779899

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine (CID 107588206) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine is c1ccc(-c2nc(CNc3cncnc3)cs2)nc1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine?
The InChIKey is OEJYYIKPKFCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-4-16-12(3-1)13-18-11(8-19-13)7-17-10-5-14-9-15-6-10/h1-6,8-9,17H,7H2.
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine has a molecular weight of 269.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 107588206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).