[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid

C18H21N5O4S — CID 69483112

IUPAC[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)Nc3ccccc3)sc2C1
InChIInChI=1S/C18H21N5O4S/c1-23-8-7-12-14(10-23)28-17(22-12)16(25)21-13(9-19-18(26)27)15(24)20-11-5-3-2-4-6-11/h2-6,13,19H,7-10H2,1H3,(H,20,24)(H,21,25)(H,26,27)
InChIKeyVUPROSWSSJEHAF-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.14
Rot. Bonds6

About [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid

[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (PubChem CID 69483112) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
PubChem CID69483112
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)Nc3ccccc3)sc2C1
InChIInChI=1S/C18H21N5O4S/c1-23-8-7-12-14(10-23)28-17(22-12)16(25)21-13(9-19-18(26)27)15(24)20-11-5-3-2-4-6-11/h2-6,13,19H,7-10H2,1H3,(H,20,24)(H,21,25)(H,26,27)
InChIKeyVUPROSWSSJEHAF-UHFFFAOYSA-N
XLogP1.14
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (CID 69483112) is [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid is CN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)Nc3ccccc3)sc2C1.
What is the InChIKey of [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The InChIKey is VUPROSWSSJEHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-23-8-7-12-14(10-23)28-17(22-12)16(25)21-13(9-19-18(26)27)15(24)20-11-5-3-2-4-6-11/h2-6,13,19H,7-10H2,1H3,(H,20,24)(H,21,25)(H,26,27).
What are the key properties of [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid has a molecular weight of 403.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 69483112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).