[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid

C20H19N5O4S — CID 155026592

IUPAC[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid
SMILESCC(=O)N(C)c1cc(-c2cccc(-c3csc(NC(=O)CNC(=O)O)n3)c2)ccn1
InChIInChI=1S/C20H19N5O4S/c1-12(26)25(2)17-9-14(6-7-21-17)13-4-3-5-15(8-13)16-11-30-19(23-16)24-18(27)10-22-20(28)29/h3-9,11,22H,10H2,1-2H3,(H,28,29)(H,23,24,27)
InChIKeyOOTCEJKHOHQLLV-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.06
Rot. Bonds6

About [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid

[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid (PubChem CID 155026592) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid
PubChem CID155026592
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid
SMILESCC(=O)N(C)c1cc(-c2cccc(-c3csc(NC(=O)CNC(=O)O)n3)c2)ccn1
InChIInChI=1S/C20H19N5O4S/c1-12(26)25(2)17-9-14(6-7-21-17)13-4-3-5-15(8-13)16-11-30-19(23-16)24-18(27)10-22-20(28)29/h3-9,11,22H,10H2,1-2H3,(H,28,29)(H,23,24,27)
InChIKeyOOTCEJKHOHQLLV-UHFFFAOYSA-N
XLogP3.06
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[methyl-[4-[3-[2-(propanoylamino)-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]amino]acetate
CID 170360331
(Z,2E)-2-ethylidene-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pent-3-enamide
CID 154668432
tert-butyl 2-[[4-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-1,3-thiazol-4-yl]phenyl]-2-pyridinyl]-methylamino]acetate
CID 169317095
[2-methyl-2-[3-[[2-oxo-2-[[4-[3-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propyl]carbamic acid
CID 166681834
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
N-[2-[[4-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfinylpyrrole-3-carboxamide
CID 155036825
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
(Z,2E)-2-ethylidene-5-methyl-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]hex-3-enamide
CID 154668114
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
CID 154669466
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid (CID 155026592) is [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid is CC(=O)N(C)c1cc(-c2cccc(-c3csc(NC(=O)CNC(=O)O)n3)c2)ccn1.
What is the InChIKey of [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid?
The InChIKey is OOTCEJKHOHQLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-12(26)25(2)17-9-14(6-7-21-17)13-4-3-5-15(8-13)16-11-30-19(23-16)24-18(27)10-22-20(28)29/h3-9,11,22H,10H2,1-2H3,(H,28,29)(H,23,24,27).
What are the key properties of [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid?
[2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid has a molecular weight of 425.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[3-[2-[acetyl(methyl)amino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 155026592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).