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

C16H17N5OS — CID 126797037

IUPAC6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2nc(-c3ccncc3)cs2)ncn1
InChIInChI=1S/C16H17N5OS/c1-2-22-15-9-14(19-11-20-15)18-8-5-16-21-13(10-23-16)12-3-6-17-7-4-12/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,18,19,20)
InChIKeySHOZUWKHCHUCEP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.05
Rot. Bonds7

About 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 126797037) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID126797037
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2nc(-c3ccncc3)cs2)ncn1
InChIInChI=1S/C16H17N5OS/c1-2-22-15-9-14(19-11-20-15)18-8-5-16-21-13(10-23-16)12-3-6-17-7-4-12/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,18,19,20)
InChIKeySHOZUWKHCHUCEP-UHFFFAOYSA-N
XLogP3.05
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355957
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(3-pyridin-2-yloxypropyl)pyrimidin-4-amine
CID 127040594
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 134143254
2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71271282
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71274226
6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 47059462
4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine
CID 118733456
N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 1632829
4-methoxy-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 56788876
Propan-2-yl 4-[6-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57571091
2-ethyl-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
CID 59705072
2-methyl-N-[4-propoxy-5-(trifluoromethyl)pyrimidin-2-yl]-7-[5-(trifluoromethyl)-1,3-thiazol-4-yl]-1,8-naphthyridin-4-amine
CID 59705078

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 126797037) is 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is CCOc1cc(NCCc2nc(-c3ccncc3)cs2)ncn1.
What is the InChIKey of 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is SHOZUWKHCHUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-22-15-9-14(19-11-20-15)18-8-5-16-21-13(10-23-16)12-3-6-17-7-4-12/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,18,19,20).
What are the key properties of 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 327.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 126797037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).