4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C19H25ClN4O2S — CID 3488841

IUPAC4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC)CCN(CC(=O)Nc1nc(C)cs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O2S/c1-4-23(5-2)10-11-24(18(26)15-6-8-16(20)9-7-15)12-17(25)22-19-21-14(3)13-27-19/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,22,25)
InChIKeyRCFCNIKUYWDBFL-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.53
Rot. Bonds9

About 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 3488841) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID3488841
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC)CCN(CC(=O)Nc1nc(C)cs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H25ClN4O2S/c1-4-23(5-2)10-11-24(18(26)15-6-8-16(20)9-7-15)12-17(25)22-19-21-14(3)13-27-19/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,22,25)
InChIKeyRCFCNIKUYWDBFL-UHFFFAOYSA-N
XLogP3.53
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3450536
N-ethyl-4-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 814196
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4158385
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 5064343
4-ethyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4062814
N-(3-ethoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4131219
N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3450802
2-[2-[[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 5218584
N-[2-[[4-[2-(butan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chloro-N-propylbenzamide
CID 4609586
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 3460973
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 4164205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 3488841) is 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is CCN(CC)CCN(CC(=O)Nc1nc(C)cs1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is RCFCNIKUYWDBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c1-4-23(5-2)10-11-24(18(26)15-6-8-16(20)9-7-15)12-17(25)22-19-21-14(3)13-27-19/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,22,25).
What are the key properties of 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 408.96 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3488841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).