10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole

C18H11N3S — CID 121298662

IUPAC10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
SMILESc1cnc(-n2c3ccccc3c3sc4ccccc4c32)nc1
InChIInChI=1S/C18H11N3S/c1-3-8-14-12(6-1)17-16(13-7-2-4-9-15(13)22-17)21(14)18-19-10-5-11-20-18/h1-11H
InChIKeyKMWNLKDTPUJLGR-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.79
Rot. Bonds1

About 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole

10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole (PubChem CID 121298662) has the molecular formula C18H11N3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
PubChem CID121298662
Molecular FormulaC18H11N3S
Molecular Weight301.37 g/mol
Exact Mass301.07
IUPAC Name10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
SMILESc1cnc(-n2c3ccccc3c3sc4ccccc4c32)nc1
InChIInChI=1S/C18H11N3S/c1-3-8-14-12(6-1)17-16(13-7-2-4-9-15(13)22-17)21(14)18-19-10-5-11-20-18/h1-11H
InChIKeyKMWNLKDTPUJLGR-UHFFFAOYSA-N
XLogP4.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 121298667
11-[6-(3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 118370833
10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole
CID 167133389
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170407101
24-(5-phenylpyrimidin-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 122466021
[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane
CID 123144091
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433
4-naphthalen-1-yl-2-(12-pyrimidin-2-ylindolo[3,2-c]carbazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 147778657
21-phenyl-9-pyridin-2-yl-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635006
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70992961
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017

Frequently Asked Questions

What is the IUPAC name of 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole (CID 121298662) is 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole is c1cnc(-n2c3ccccc3c3sc4ccccc4c32)nc1.
What is the InChIKey of 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole?
The InChIKey is KMWNLKDTPUJLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3S/c1-3-8-14-12(6-1)17-16(13-7-2-4-9-15(13)22-17)21(14)18-19-10-5-11-20-18/h1-11H.
What are the key properties of 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole?
10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole has a molecular weight of 301.37 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 121298662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).