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

C14H21N5O4S — CID 69481493

IUPAC[3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)N(C)C)C(=O)O)sc2C1
InChIInChI=1S/C14H21N5O4S/c1-17(2)11(20)5-7-19(14(22)23)16-12(21)13-15-9-4-6-18(3)8-10(9)24-13/h4-8H2,1-3H3,(H,16,21)(H,22,23)
InChIKeyLMHPTFYYHHJGHD-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.23
Rot. Bonds4

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

[3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (PubChem CID 69481493) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
PubChem CID69481493
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Name[3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid
SMILESCN1CCc2nc(C(=O)NN(CCC(=O)N(C)C)C(=O)O)sc2C1
InChIInChI=1S/C14H21N5O4S/c1-17(2)11(20)5-7-19(14(22)23)16-12(21)13-15-9-4-6-18(3)8-10(9)24-13/h4-8H2,1-3H3,(H,16,21)(H,22,23)
InChIKeyLMHPTFYYHHJGHD-UHFFFAOYSA-N
XLogP0.23
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid (CID 69481493) is [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid is CN1CCc2nc(C(=O)NN(CCC(=O)N(C)C)C(=O)O)sc2C1.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?
The InChIKey is LMHPTFYYHHJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-17(2)11(20)5-7-19(14(22)23)16-12(21)13-15-9-4-6-18(3)8-10(9)24-13/h4-8H2,1-3H3,(H,16,21)(H,22,23).
What are the key properties of [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid?
[3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid has a molecular weight of 355.42 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl]-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]carbamic acid is sourced from PubChem (CID 69481493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).