N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine

C18H12N4S2 — CID 18382853

IUPACN-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1
InChIInChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22)
InChIKeyYXIIIHIHDBMOTL-UHFFFAOYSA-N
MW348.46 g/mol
LogP5.64
Rot. Bonds3

About N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine

N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382853) has the molecular formula C18H12N4S2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18382853
Molecular FormulaC18H12N4S2
Molecular Weight348.46 g/mol
Exact Mass348.05
IUPAC NameN-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1
InChIInChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22)
InChIKeyYXIIIHIHDBMOTL-UHFFFAOYSA-N
XLogP5.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CID 24880024
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109
1-(3-Ethynylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138111
1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138117
1-[3-(Pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138119
1-{3-[2-(Azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138120
(1H-Indol-5-yl)-(2-thiophen-2-yl-thieno[3,2-b]pyridin-7-yl)-amine
CID 9884654
{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-phenyl}-methanol
CID 18382910
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
Benzothieno[3,2-d]pyrimidine deriv. 58
CID 5328406
Benzothieno[3,2-d]pyrimidine deriv. 59
CID 5328407

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 18382853) is N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine is c1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1.
What is the InChIKey of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YXIIIHIHDBMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22).
What are the key properties of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 348.46 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).