N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide

C21H19N7O2S2 — CID 21358336

IUPACN-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESCNC(=O)Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)Cc4cccnc4)c3)cs2)s1
InChIInChI=1S/C21H19N7O2S2/c1-23-20(30)28-21-27-18(22)17(32-21)19-26-15(11-31-19)13-5-2-6-14(9-13)25-16(29)8-12-4-3-7-24-10-12/h2-7,9-11H,8,22H2,1H3,(H,25,29)(H2,23,27,28,30)
InChIKeyCNJADZMAEKUIKW-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.84
Rot. Bonds6

About N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide

N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide (PubChem CID 21358336) has the molecular formula C21H19N7O2S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide
PubChem CID21358336
Molecular FormulaC21H19N7O2S2
Molecular Weight465.56 g/mol
Exact Mass465.10
IUPAC NameN-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESCNC(=O)Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)Cc4cccnc4)c3)cs2)s1
InChIInChI=1S/C21H19N7O2S2/c1-23-20(30)28-21-27-18(22)17(32-21)19-26-15(11-31-19)13-5-2-6-14(9-13)25-16(29)8-12-4-3-7-24-10-12/h2-7,9-11H,8,22H2,1H3,(H,25,29)(H2,23,27,28,30)
InChIKeyCNJADZMAEKUIKW-UHFFFAOYSA-N
XLogP3.84
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-oxo-3-phenylpropanamide
CID 21358363
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 21358360
(3R)-N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-phenylbutanamide
CID 59093945
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358390
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-2-oxopentanamide
CID 21358377
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 21358385
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-6-oxopyran-3-carboxamide
CID 21358389
1-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methylurea
CID 22994071
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
methyl N-[4-amino-5-[4-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]carbamate
CID 21358078
4-[[4-amino-5-[4-[3-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 21357878
N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 21358100

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide (CID 21358336) is N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide is CNC(=O)Nc1nc(N)c(-c2nc(-c3cccc(NC(=O)Cc4cccnc4)c3)cs2)s1.
What is the InChIKey of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is CNJADZMAEKUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2S2/c1-23-20(30)28-21-27-18(22)17(32-21)19-26-15(11-31-19)13-5-2-6-14(9-13)25-16(29)8-12-4-3-7-24-10-12/h2-7,9-11H,8,22H2,1H3,(H,25,29)(H2,23,27,28,30).
What are the key properties of N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide?
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 465.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 21358336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).