2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C20H22Cl2N4O3S — CID 1029867

IUPAC2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)NC2CC2)cs1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N4O3S/c1-11(2)26(19(29)15-6-3-12(21)7-16(15)22)9-18(28)25-20-24-14(10-30-20)8-17(27)23-13-4-5-13/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,23,27)(H,24,25,28)
InChIKeyZABHDCLGUIIJDN-UHFFFAOYSA-N
MW469.39 g/mol
LogP3.76
Rot. Bonds8

About 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 1029867) has the molecular formula C20H22Cl2N4O3S and a molecular weight of 469.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID1029867
Molecular FormulaC20H22Cl2N4O3S
Molecular Weight469.39 g/mol
Exact Mass468.08
IUPAC Name2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)NC2CC2)cs1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N4O3S/c1-11(2)26(19(29)15-6-3-12(21)7-16(15)22)9-18(28)25-20-24-14(10-30-20)8-17(27)23-13-4-5-13/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,23,27)(H,24,25,28)
InChIKeyZABHDCLGUIIJDN-UHFFFAOYSA-N
XLogP3.76
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029848
2,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4047151
4-chloro-N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030947
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-dichloro-N-(2-methylpropyl)benzamide
CID 5056935
2-[2-[[2-[(2-chlorobenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7231958
N-[2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 1029885
2-[2-[[2-[(2,4-dichlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5193937
3,4-dichloro-N-[2-[[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030139
N-[2-[[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylbenzamide
CID 1029838
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4140064
2-chloro-N-[2-[[4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029847
3,4-dichloro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 1030145

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 1029867) is 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is CC(C)N(CC(=O)Nc1nc(CC(=O)NC2CC2)cs1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is ZABHDCLGUIIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O3S/c1-11(2)26(19(29)15-6-3-12(21)7-16(15)22)9-18(28)25-20-24-14(10-30-20)8-17(27)23-13-4-5-13/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,23,27)(H,24,25,28).
What are the key properties of 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 469.39 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1029867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).