7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C16H16FN5O2S — CID 135334231

IUPAC7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1
InChIInChI=1S/C16H16FN5O2S/c1-8(2)24-11-6-9(17)4-5-10(11)21-13-12-15(20-7-19-13)25-16(22-12)14(23)18-3/h4-8H,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyDPFZKILBVWKIDP-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.12
Rot. Bonds5

About 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135334231) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135334231
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1
InChIInChI=1S/C16H16FN5O2S/c1-8(2)24-11-6-9(17)4-5-10(11)21-13-12-15(20-7-19-13)25-16(22-12)14(23)18-3/h4-8H,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyDPFZKILBVWKIDP-UHFFFAOYSA-N
XLogP3.12
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(Dimethylamino)propyl)-4-((4-fluoro-2-isopropoxyphenyl)amino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 44634490
1-(4-(5-Amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 50942249
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 71572646
N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-(1-fluoropropan-2-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 91808107
(3S,5R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 117653653
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 117653759
(2R,5S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 122443909
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 122443951
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122444097
7-(4-fluoro-2-propan-2-yloxyanilino)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390238
7-(4-fluoro-2-propan-2-yloxyanilino)-N-(2-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390322
2-[[3-(4-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
CID 3245797

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135334231) is 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CNC(=O)c1nc2c(Nc3ccc(F)cc3OC(C)C)ncnc2s1.
What is the InChIKey of 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is DPFZKILBVWKIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c1-8(2)24-11-6-9(17)4-5-10(11)21-13-12-15(20-7-19-13)25-16(22-12)14(23)18-3/h4-8H,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-propan-2-yloxyanilino)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135334231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).