N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

C18H22N4O5S — CID 4582365

IUPACN-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)NC2CC2)cs1)C(=O)c1ccco1
InChIInChI=1S/C18H22N4O5S/c1-26-8-6-22(17(25)14-3-2-7-27-14)10-16(24)21-18-20-13(11-28-18)9-15(23)19-12-4-5-12/h2-3,7,11-12H,4-6,8-10H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyPTXBOVCIJAXJBE-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.28
Rot. Bonds10

About N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 4582365) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID4582365
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(CC(=O)Nc1nc(CC(=O)NC2CC2)cs1)C(=O)c1ccco1
InChIInChI=1S/C18H22N4O5S/c1-26-8-6-22(17(25)14-3-2-7-27-14)10-16(24)21-18-20-13(11-28-18)9-15(23)19-12-4-5-12/h2-3,7,11-12H,4-6,8-10H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyPTXBOVCIJAXJBE-UHFFFAOYSA-N
XLogP1.28
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]furan-2-carboxamide
CID 4124696
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 4536086
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 4192730
N-[2-[[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4131279
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4129925
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4183857
N-[2-[[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4651253
3,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 3355515
N-[2-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 4136766
2-[2-[[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5218584
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3419400
N-(2-methoxyethyl)-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 3273597

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 4582365) is N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(CC(=O)Nc1nc(CC(=O)NC2CC2)cs1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is PTXBOVCIJAXJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-26-8-6-22(17(25)14-3-2-7-27-14)10-16(24)21-18-20-13(11-28-18)9-15(23)19-12-4-5-12/h2-3,7,11-12H,4-6,8-10H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 4582365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).