N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C18H21Cl2N3O2S — CID 4569748

IUPACN-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nc(NC(=O)CN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)sc1C
InChIInChI=1S/C18H21Cl2N3O2S/c1-10-11(2)26-17(21-10)22-15(24)9-23(18(3,4)5)16(25)12-6-13(19)8-14(20)7-12/h6-8H,9H2,1-5H3,(H,21,22,24)
InChIKeyDZTBWMHTEYSAPG-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.95
Rot. Bonds4

About N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 4569748) has the molecular formula C18H21Cl2N3O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID4569748
Molecular FormulaC18H21Cl2N3O2S
Molecular Weight414.36 g/mol
Exact Mass413.07
IUPAC NameN-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nc(NC(=O)CN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)sc1C
InChIInChI=1S/C18H21Cl2N3O2S/c1-10-11(2)26-17(21-10)22-15(24)9-23(18(3,4)5)16(25)12-6-13(19)8-14(20)7-12/h6-8H,9H2,1-5H3,(H,21,22,24)
InChIKeyDZTBWMHTEYSAPG-UHFFFAOYSA-N
XLogP4.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 814106
N-tert-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 5241180
3,4-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 5198515
2-[cyclopropyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 3663546
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide
CID 3278116
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3911583
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 3383835
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 4229838
3,5-dichloro-N-cyclohexyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4291757
3-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3495587
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 4129672
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 55123657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 4569748) is N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is Cc1nc(NC(=O)CN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)sc1C.
What is the InChIKey of N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is DZTBWMHTEYSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2S/c1-10-11(2)26-17(21-10)22-15(24)9-23(18(3,4)5)16(25)12-6-13(19)8-14(20)7-12/h6-8H,9H2,1-5H3,(H,21,22,24).
What are the key properties of N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 414.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4569748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).