N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C20H23N5O3S — CID 89320977

IUPACN-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESC=C(C)n1nc(C(=O)NC(C)COC)c2sc(NC(=O)c3ccc(C)cc3)nc21
InChIInChI=1S/C20H23N5O3S/c1-11(2)25-17-16(15(24-25)19(27)21-13(4)10-28-5)29-20(22-17)23-18(26)14-8-6-12(3)7-9-14/h6-9,13H,1,10H2,2-5H3,(H,21,27)(H,22,23,26)
InChIKeyFDFNOILTNQWSFB-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.31
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide

N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 89320977) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID89320977
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESC=C(C)n1nc(C(=O)NC(C)COC)c2sc(NC(=O)c3ccc(C)cc3)nc21
InChIInChI=1S/C20H23N5O3S/c1-11(2)25-17-16(15(24-25)19(27)21-13(4)10-28-5)29-20(22-17)23-18(26)14-8-6-12(3)7-9-14/h6-9,13H,1,10H2,2-5H3,(H,21,27)(H,22,23,26)
InChIKeyFDFNOILTNQWSFB-UHFFFAOYSA-N
XLogP3.31
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 89320977) is N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide is C=C(C)n1nc(C(=O)NC(C)COC)c2sc(NC(=O)c3ccc(C)cc3)nc21.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is FDFNOILTNQWSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-11(2)25-17-16(15(24-25)19(27)21-13(4)10-28-5)29-20(22-17)23-18(26)14-8-6-12(3)7-9-14/h6-9,13H,1,10H2,2-5H3,(H,21,27)(H,22,23,26).
What are the key properties of N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-[(4-methylbenzoyl)amino]-1-prop-1-en-2-ylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 89320977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).