methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C19H15FN4O3S2 — CID 38986276

IUPACmethyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)n1
InChIInChI=1S/C19H15FN4O3S2/c1-10-14-8-15(17(26)22-19-21-12(9-28-19)7-16(25)27-2)29-18(14)24(23-10)13-5-3-11(20)4-6-13/h3-6,8-9H,7H2,1-2H3,(H,21,22,26)
InChIKeyQSHKQFQZYJHNMT-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.96
Rot. Bonds5

About methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 38986276) has the molecular formula C19H15FN4O3S2 and a molecular weight of 430.49 g/mol. Its IUPAC name is methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID38986276
Molecular FormulaC19H15FN4O3S2
Molecular Weight430.49 g/mol
Exact Mass430.06
IUPAC Namemethyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)n1
InChIInChI=1S/C19H15FN4O3S2/c1-10-14-8-15(17(26)22-19-21-12(9-28-19)7-16(25)27-2)29-18(14)24(23-10)13-5-3-11(20)4-6-13/h3-6,8-9H,7H2,1-2H3,(H,21,22,26)
InChIKeyQSHKQFQZYJHNMT-UHFFFAOYSA-N
XLogP3.96
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
methyl 3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 134015748
1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3582348
1-(4-bromophenyl)-N-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 3882124
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 53008862
methyl 2-[2-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986062
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
N-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2347864
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8885373

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 38986276) is methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)n1.
What is the InChIKey of methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QSHKQFQZYJHNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S2/c1-10-14-8-15(17(26)22-19-21-12(9-28-19)7-16(25)27-2)29-18(14)24(23-10)13-5-3-11(20)4-6-13/h3-6,8-9H,7H2,1-2H3,(H,21,22,26).
What are the key properties of methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 430.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 38986276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).