N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C22H31N5O5S — CID 19611219

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1NC=O
InChIInChI=1S/C22H31N5O5S/c1-13(2)27(14(3)4)8-7-23-21(30)17-11-33-22(25-17)26-20(29)15-9-16(24-12-28)19(32-6)10-18(15)31-5/h9-14H,7-8H2,1-6H3,(H,23,30)(H,24,28)(H,25,26,29)
InChIKeyITRNWFVCWYATGW-UHFFFAOYSA-N
MW477.59 g/mol
LogP2.83
Rot. Bonds12

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 19611219) has the molecular formula C22H31N5O5S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID19611219
Molecular FormulaC22H31N5O5S
Molecular Weight477.59 g/mol
Exact Mass477.20
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1NC=O
InChIInChI=1S/C22H31N5O5S/c1-13(2)27(14(3)4)8-7-23-21(30)17-11-33-22(25-17)26-20(29)15-9-16(24-12-28)19(32-6)10-18(15)31-5/h9-14H,7-8H2,1-6H3,(H,23,30)(H,24,28)(H,25,26,29)
InChIKeyITRNWFVCWYATGW-UHFFFAOYSA-N
XLogP2.83
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2,5-dimethoxybenzoyl)amino]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611000
2-[(2-chloro-4,5-dimethoxybenzoyl)amino]-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 19610999
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611247
N-[2-[di(propan-2-yl)amino]ethyl]-2-[methyl-(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 139772989
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]ethyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611084
methyl N-[3-[[4-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 23296372
N-[2-(dimethylamino)ethyl]-2-[(2-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611237
N-(2-aminoethyl)-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 149307839
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
but-2-enedioic acid;2-[(2,3-dimethoxybenzoyl)amino]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 173232264
N-[4-(dimethylamino)phenyl]-2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611054

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 19611219) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1cc(OC)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1NC=O.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ITRNWFVCWYATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O5S/c1-13(2)27(14(3)4)8-7-23-21(30)17-11-33-22(25-17)26-20(29)15-9-16(24-12-28)19(32-6)10-18(15)31-5/h9-14H,7-8H2,1-6H3,(H,23,30)(H,24,28)(H,25,26,29).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 2.83, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-formamido-2,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 19611219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).