N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C24H24N6O3S — CID 118284875

IUPACN-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2c(C)nsc2Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C24H24N6O3S/c1-15-21(24(34-30-15)29-20-14-26-18-9-3-4-10-19(18)28-20)23(32)27-17-8-5-7-16(13-17)22(31)25-11-6-12-33-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,25,31)(H,27,32)(H,28,29)
InChIKeyAOQPVFHINKBRIX-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.16
Rot. Bonds9

About N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 118284875) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID118284875
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2c(C)nsc2Nc2cnc3ccccc3n2)c1
InChIInChI=1S/C24H24N6O3S/c1-15-21(24(34-30-15)29-20-14-26-18-9-3-4-10-19(18)28-20)23(32)27-17-8-5-7-16(13-17)22(31)25-11-6-12-33-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,25,31)(H,27,32)(H,28,29)
InChIKeyAOQPVFHINKBRIX-UHFFFAOYSA-N
XLogP4.16
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278653
4-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoic acid
CID 118279033
3-methyl-N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284736
N-[3-(3-acetamidopyrrolidine-1-carbonyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284889
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284895
N-[3-[[1-(2-fluoroethyl)azetidin-3-yl]sulfonylamino]phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118278957
5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 118279085
3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118278899
3-methyl-N-(2-phenoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 129048666
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284929
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 118284875) is N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is COCCCNC(=O)c1cccc(NC(=O)c2c(C)nsc2Nc2cnc3ccccc3n2)c1.
What is the InChIKey of N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is AOQPVFHINKBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-15-21(24(34-30-15)29-20-14-26-18-9-3-4-10-19(18)28-20)23(32)27-17-8-5-7-16(13-17)22(31)25-11-6-12-33-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,25,31)(H,27,32)(H,28,29).
What are the key properties of N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118284875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).