N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine

C20H13N5OS — CID 71233803

IUPACN-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine
SMILESc1ccc(-c2ccnc(Nc3ccc4nc(-c5cccs5)oc4c3)n2)nc1
InChIInChI=1S/C20H13N5OS/c1-2-9-21-14(4-1)15-8-10-22-20(25-15)23-13-6-7-16-17(12-13)26-19(24-16)18-5-3-11-27-18/h1-12H,(H,22,23,25)
InChIKeyDKGDQZZRSFHJEE-UHFFFAOYSA-N
MW371.43 g/mol
LogP5.15
Rot. Bonds4

About N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine

N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine (PubChem CID 71233803) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine
PubChem CID71233803
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC NameN-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine
SMILESc1ccc(-c2ccnc(Nc3ccc4nc(-c5cccs5)oc4c3)n2)nc1
InChIInChI=1S/C20H13N5OS/c1-2-9-21-14(4-1)15-8-10-22-20(25-15)23-13-6-7-16-17(12-13)26-19(24-16)18-5-3-11-27-18/h1-12H,(H,22,23,25)
InChIKeyDKGDQZZRSFHJEE-UHFFFAOYSA-N
XLogP5.15
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

SB-334867
CID 6604926
1-(2-Methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea hydrochloride
CID 9798764
N4-(benzo[d]oxazol-4-yl)-N2-(3-(methylsulfonyl)phenyl)pyrimidine-2,4-diamine
CID 52945646
1-(2-Methyl-1,3-benzoxazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 71712718
1-(2-Amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
CID 162643601
N-(7-pyrrolidin-3-yloxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056278
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127048451
1-(2-Methyl-1,3-benzoxazol-6-yl)-3-(1,8-naphthyridin-4-yl)urea
CID 44299602
N-[6-(2-methyl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-1,3-benzoxazol-6-amine
CID 172446742
3-(1,3-benzoxazol-2-yl)-N-tert-butyl-5-thiophen-3-ylpyridin-2-amine
CID 177654028
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazol-6-amine
CID 71913583
N-(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-2-pentyl-1,3-benzoxazol-6-amine
CID 25120638

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine?
The IUPAC name of N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine (CID 71233803) is N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine is c1ccc(-c2ccnc(Nc3ccc4nc(-c5cccs5)oc4c3)n2)nc1.
What is the InChIKey of N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine?
The InChIKey is DKGDQZZRSFHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c1-2-9-21-14(4-1)15-8-10-22-20(25-15)23-13-6-7-16-17(12-13)26-19(24-16)18-5-3-11-27-18/h1-12H,(H,22,23,25).
What are the key properties of N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine?
N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine has a molecular weight of 371.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 71233803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).