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

C14H21N5O4S — CID 69481491

IUPAC[3-(dimethylamino)-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)N(C)C)sc2C1
InChIInChI=1S/C14H21N5O4S/c1-18(2)13(21)9(6-15-14(22)23)16-11(20)12-17-8-4-5-19(3)7-10(8)24-12/h9,15H,4-7H2,1-3H3,(H,16,20)(H,22,23)
InChIKeyAODIKYYLCBKFPZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.41
Rot. Bonds5

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

[3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (PubChem CID 69481491) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is [3-(dimethylamino)-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-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
PubChem CID69481491
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Name[3-(dimethylamino)-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)N(C)C)sc2C1
InChIInChI=1S/C14H21N5O4S/c1-18(2)13(21)9(6-15-14(22)23)16-11(20)12-17-8-4-5-19(3)7-10(8)24-12/h9,15H,4-7H2,1-3H3,(H,16,20)(H,22,23)
InChIKeyAODIKYYLCBKFPZ-UHFFFAOYSA-N
XLogP-0.41
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-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-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (CID 69481491) is [3-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-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)N(C)C)sc2C1.
What is the InChIKey of [3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The InChIKey is AODIKYYLCBKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-18(2)13(21)9(6-15-14(22)23)16-11(20)12-17-8-4-5-19(3)7-10(8)24-12/h9,15H,4-7H2,1-3H3,(H,16,20)(H,22,23).
What are the key properties of [3-(dimethylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
[3-(dimethylamino)-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 355.42 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-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 69481491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).