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

C13H11N5S — CID 108780015

IUPACN-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2csc(-c3ccncc3)n2)nc1
InChIInChI=1S/C13H11N5S/c1-4-15-13(16-5-1)17-8-11-9-19-12(18-11)10-2-6-14-7-3-10/h1-7,9H,8H2,(H,15,16,17)
InChIKeyKEKYUTUIPAADKT-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.61
Rot. Bonds4

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

N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 108780015) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID108780015
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC NameN-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2csc(-c3ccncc3)n2)nc1
InChIInChI=1S/C13H11N5S/c1-4-15-13(16-5-1)17-8-11-9-19-12(18-11)10-2-6-14-7-3-10/h1-7,9H,8H2,(H,15,16,17)
InChIKeyKEKYUTUIPAADKT-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

N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 108780009
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
CID 108775470
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201
1-phenyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784372
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-4-amine
CID 72891816
O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
CID 39241502
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 99832865
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (CID 108780015) is N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is c1cnc(NCc2csc(-c3ccncc3)n2)nc1.
What is the InChIKey of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is KEKYUTUIPAADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-4-15-13(16-5-1)17-8-11-9-19-12(18-11)10-2-6-14-7-3-10/h1-7,9H,8H2,(H,15,16,17).
What are the key properties of N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-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-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 108780015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).