N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide

C14H19N5O5S — CID 151173033

IUPACN'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide
SMILESCN(C)C(=O)[C@H](CNC(=O)C(N)=O)NC(=O)c1nc2c(s1)COCC2
InChIInChI=1S/C14H19N5O5S/c1-19(2)14(23)8(5-16-11(21)10(15)20)17-12(22)13-18-7-3-4-24-6-9(7)25-13/h8H,3-6H2,1-2H3,(H2,15,20)(H,16,21)(H,17,22)/t8-/m0/s1
InChIKeyNCRJIYKAUMGMRN-QMMMGPOBSA-N
MW369.40 g/mol
LogP-2.00
Rot. Bonds5

About N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide

N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide (PubChem CID 151173033) has the molecular formula C14H19N5O5S and a molecular weight of 369.40 g/mol. Its IUPAC name is N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide
PubChem CID151173033
Molecular FormulaC14H19N5O5S
Molecular Weight369.40 g/mol
Exact Mass369.11
IUPAC NameN'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide
SMILESCN(C)C(=O)[C@H](CNC(=O)C(N)=O)NC(=O)c1nc2c(s1)COCC2
InChIInChI=1S/C14H19N5O5S/c1-19(2)14(23)8(5-16-11(21)10(15)20)17-12(22)13-18-7-3-4-24-6-9(7)25-13/h8H,3-6H2,1-2H3,(H2,15,20)(H,16,21)(H,17,22)/t8-/m0/s1
InChIKeyNCRJIYKAUMGMRN-QMMMGPOBSA-N
XLogP-2.00
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 58893887
[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid
CID 69483189
(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamic acid
CID 69483192
6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide
CID 83385488
N-[(1R,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carboxamide
CID 142914944
N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide;hydrochloride
CID 160982994
1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}ethan-1-amine
CID 61337613
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 62543187
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine
CID 62543383
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine
CID 62543866
2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-N-methylethanamine
CID 62543900
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine
CID 62544672

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide?
The IUPAC name of N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide (CID 151173033) is N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide?
The canonical SMILES for N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide is CN(C)C(=O)[C@H](CNC(=O)C(N)=O)NC(=O)c1nc2c(s1)COCC2.
What is the InChIKey of N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide?
The InChIKey is NCRJIYKAUMGMRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H19N5O5S/c1-19(2)14(23)8(5-16-11(21)10(15)20)17-12(22)13-18-7-3-4-24-6-9(7)25-13/h8H,3-6H2,1-2H3,(H2,15,20)(H,16,21)(H,17,22)/t8-/m0/s1.
What are the key properties of N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide?
N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide has a molecular weight of 369.40 g/mol, XLogP of -2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-3-(dimethylamino)-3-oxopropyl]oxamide is sourced from PubChem (CID 151173033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).