7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C16H14FN5OS — CID 135390572

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C16H14FN5OS/c1-21(2)16(23)15-20-12-13(18-8-19-14(12)24-15)22-6-5-9-7-10(17)3-4-11(9)22/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIAAVBAUWDJXCLG-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.62
Rot. Bonds2

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390572) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390572
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C16H14FN5OS/c1-21(2)16(23)15-20-12-13(18-8-19-14(12)24-15)22-6-5-9-7-10(17)3-4-11(9)22/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIAAVBAUWDJXCLG-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083789
4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083790
N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)acetamide
CID 21083893
N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)acetamide
CID 21083895
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)acetamide
CID 25263292
2-[(2-{[4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)amino]ethan-1-ol
CID 25263293
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
2-[(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 23657350

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390572) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)C(=O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is IAAVBAUWDJXCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-21(2)16(23)15-20-12-13(18-8-19-14(12)24-15)22-6-5-9-7-10(17)3-4-11(9)22/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).