N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

C19H21F2N5O2S — CID 43962176

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)c(=O)c1C
InChIInChI=1S/C19H21F2N5O2S/c1-11-12(2)22-10-25(18(11)28)9-16(27)26(6-5-24(3)4)19-23-17-14(21)7-13(20)8-15(17)29-19/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHNVISLOCRVFIBB-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.34
Rot. Bonds6

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 43962176) has the molecular formula C19H21F2N5O2S and a molecular weight of 421.47 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID43962176
Molecular FormulaC19H21F2N5O2S
Molecular Weight421.47 g/mol
Exact Mass421.14
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1ncn(CC(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)c(=O)c1C
InChIInChI=1S/C19H21F2N5O2S/c1-11-12(2)22-10-25(18(11)28)9-16(27)26(6-5-24(3)4)19-23-17-14(21)7-13(20)8-15(17)29-19/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHNVISLOCRVFIBB-UHFFFAOYSA-N
XLogP2.34
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 43962171
N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43962502
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 43965092
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43962446
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43965016
N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43962529
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 44931485
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 44992441
N-[2-(diethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 43962095
2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44927731
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 8718835
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide chloride
CID 53351309

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (CID 43962176) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1ncn(CC(=O)N(CCN(C)C)c2nc3c(F)cc(F)cc3s2)c(=O)c1C.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HNVISLOCRVFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2S/c1-11-12(2)22-10-25(18(11)28)9-16(27)26(6-5-24(3)4)19-23-17-14(21)7-13(20)8-15(17)29-19/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 421.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 43962176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).